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Ts-SA

CAT: 0931-T26298-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26298-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100715-13-7
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Ts-SA is a metalloenzyme carbonic anhydrase (CA) inhibitor. It is active against 7 out of 10 human CA isoforms.
Smiles
N(C(NS(=O)(=O)C1=CC=C(C)C=C1)=O)C2=CC=C(S(N)(=O)=O)C=C2
Molecular Formula
C14H15N3O5S2
Molecular Weight
369.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CAS Number100715-13-7
PubChem CID6852128
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea
Molecular FormulaC14H15N3O5S2
Molecular Weight369.4
XLogP1.7
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity635
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKey
HDCXQTPVTAIPNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CAS: 100715-13-7
CID: 6852128
Formula: C14H15N3O5S2
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass369.04531293
Monoisotopic Mass369.04531293
Topological Polar Surface Area152 Ų
Heavy Atom Count24
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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