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CA12 modulator-1

CAT: 0013-GTR19275027-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275027-01Size:50 mg
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Description
CA12 modulator-1 acts as a regulator of carbonic anhydrase 12 (CA12) .
CAS Number
183892-93-5
Smiles
O=C (NC1=CC=C (C=C1) S (=O) (=O) N) NC=2C=C (C=C (C2) C) C
Molecular Formula
C15H17N3O3S
Molecular Weight
319.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CAS Number183892-93-5
PubChem CID27868075
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea
Molecular FormulaC15H17N3O3S
Molecular Weight319.4
XLogP1.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity471
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C
InChI
InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKey
SPEYBQKWONGMOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-{[(3,5-Dimethylphenyl)carbamoyl]amino}benzene-1-Sulfonamide
CAS: 183892-93-5
CID: 27868075
Formula: C15H17N3O3S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass319.09906259
Monoisotopic Mass319.09906259
Topological Polar Surface Area110 Ų
Heavy Atom Count22
Formal Charge0
Complexity471
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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