4-(benzylamino)benzenesulfonamide

C13H14N2O2S — CID 2755709

💊View drug profile → benzylsulfamide
IUPAC4-(benzylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
InChIKeyHLIBJQGJVDHCNB-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.95
Rot. Bonds4

About 4-(benzylamino)benzenesulfonamide

4-(benzylamino)benzenesulfonamide (PubChem CID 2755709) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-(benzylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzylamino)benzenesulfonamide
PubChem CID2755709
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-(benzylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)
InChIKeyHLIBJQGJVDHCNB-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
4-(Methylamino)benzene-1-sulfonamide
CID 14612854
Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-
CID 66856
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
4-[[(4-Aminophenyl)sulfonylamino]methyl]benzenesulfonamide
CID 4422372
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)benzenesulfonamide?
The IUPAC name of 4-(benzylamino)benzenesulfonamide (CID 2755709) is 4-(benzylamino)benzenesulfonamide.
What is the SMILES notation for 4-(benzylamino)benzenesulfonamide?
The canonical SMILES for 4-(benzylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylamino)benzenesulfonamide?
The InChIKey is HLIBJQGJVDHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17).
What are the key properties of 4-(benzylamino)benzenesulfonamide?
4-(benzylamino)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)benzenesulfonamide is sourced from PubChem (CID 2755709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).