N-benzyl-3-chlorobenzenesulfonamide

C13H12ClNO2S — CID 2405255

IUPACN-benzyl-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyBQZRGQCTSXEEFW-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.82
Rot. Bonds4

About N-benzyl-3-chlorobenzenesulfonamide

N-benzyl-3-chlorobenzenesulfonamide (PubChem CID 2405255) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-benzyl-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-chlorobenzenesulfonamide
PubChem CID2405255
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-benzyl-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyBQZRGQCTSXEEFW-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-[(1-benzylpyrrol-2-yl)methyl]-3-chlorobenzenesulfonamide
CID 53000302
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
1-benzyl-3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952824
N-benzyl-3-(cyanomethyl)benzenesulfonamide
CID 91388949
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
3-chloro-N-[(4-oxo-5-phenylmethoxypyran-2-yl)methyl]benzenesulfonamide
CID 86725722
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chlorobenzenesulfonamide?
The IUPAC name of N-benzyl-3-chlorobenzenesulfonamide (CID 2405255) is N-benzyl-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-3-chlorobenzenesulfonamide?
The canonical SMILES for N-benzyl-3-chlorobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-3-chlorobenzenesulfonamide?
The InChIKey is BQZRGQCTSXEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-7-4-8-13(9-12)18(16,17)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2.
What are the key properties of N-benzyl-3-chlorobenzenesulfonamide?
N-benzyl-3-chlorobenzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chlorobenzenesulfonamide is sourced from PubChem (CID 2405255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).