4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide

C18H17N3O2S — CID 67330648

IUPAC4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c22-24(23,21-18-8-4-5-13-19-18)17-11-9-16(10-12-17)20-14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,19,21)
InChIKeyVDNUGRMHJZVAFT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.49
Rot. Bonds6

About 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide

4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 67330648) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID67330648
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c22-24(23,21-18-8-4-5-13-19-18)17-11-9-16(10-12-17)20-14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,19,21)
InChIKeyVDNUGRMHJZVAFT-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
2-benzylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 25039698
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide (CID 67330648) is 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is VDNUGRMHJZVAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,21-18-8-4-5-13-19-18)17-11-9-16(10-12-17)20-14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,19,21).
What are the key properties of 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide?
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 67330648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).