N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide

C22H24N2O2S — CID 112985062

IUPACN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3
InChIKeyGDZSRURFMHBYQX-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide

N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 112985062) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID112985062
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3
InChIKeyGDZSRURFMHBYQX-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide 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

N-[4-[benzyl(propan-2-yl)amino]phenyl]-4-fluorobenzenesulfonamide
CID 112985063
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
CID 43188769
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
CID 112985056
N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
5-(benzenesulfonamido)-2-(dibenzylamino)benzoic acid
CID 50766523
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide (CID 112985062) is N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide is CC(C)N(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is GDZSRURFMHBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-18(2)24(17-19-9-5-3-6-10-19)21-15-13-20(14-16-21)23-27(25,26)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3.
What are the key properties of N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide?
N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(propan-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 112985062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).