N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide

C20H19ClN2O2S — CID 44601978

IUPACN-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-18-12-10-17(11-13-18)14-22-19-8-4-5-9-20(19)26(24,25)23-15-16-6-2-1-3-7-16/h1-13,22-23H,14-15H2
InChIKeyMYQPAFYBGMPDGL-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide

N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide (PubChem CID 44601978) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide
PubChem CID44601978
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-18-12-10-17(11-13-18)14-22-19-8-4-5-9-20(19)26(24,25)23-15-16-6-2-1-3-7-16/h1-13,22-23H,14-15H2
InChIKeyMYQPAFYBGMPDGL-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584050
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71584155
4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584156
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71584158
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-3-methylbenzenesulfonamide
CID 71584159
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1283333
4-chloro-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738592
4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
CID 2898209
N-(4-Chlorophenethyl)-2-{2-methyl[(4-methylphenyl)sulfonyl]anilino}acetamide
CID 3508209
4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide
CID 4082378

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide (CID 44601978) is N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccccc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide?
The InChIKey is MYQPAFYBGMPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-18-12-10-17(11-13-18)14-22-19-8-4-5-9-20(19)26(24,25)23-15-16-6-2-1-3-7-16/h1-13,22-23H,14-15H2.
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide?
N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 44601978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).