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T-Sulfonamidine

CAT: 0127-OR322632-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR322632-01Size:100 mg
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CAS Number
3624-90-6
MDL Number
MFCD00014771
Purity
95%
Smiles
Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2N

Chemical Information

Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-
CAS Number3624-90-6
PubChem CID77180
IUPAC NameN-(2-aminophenyl)-4-methylbenzenesulfonamide
Molecular FormulaC13H14N2O2S
Molecular Weight262.33
XLogP1.7
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity356
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C13H14N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,14H2,1H3
InChIKey
AQUNQTJQZYZXMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenesulfonamide, N-(2-aminophenyl)-4-methyl-
CAS: 3624-90-6
CID: 77180
Formula: C13H14N2O2S
MW: 262.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight262.33
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass262.07759887
Monoisotopic Mass262.07759887
Topological Polar Surface Area80.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
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