N-[(3-chlorophenyl)methyl]benzenesulfonamide

C13H12ClNO2S — CID 22141549

IUPACN-[(3-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-12-6-4-5-11(9-12)10-15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyRFOAYLWIKMHTBA-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.82
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]benzenesulfonamide

N-[(3-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 22141549) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]benzenesulfonamide
PubChem CID22141549
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-[(3-chlorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C13H12ClNO2S/c14-12-6-4-5-11(9-12)10-15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2
InChIKeyRFOAYLWIKMHTBA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]benzenesulfonamide (CID 22141549) is N-[(3-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is RFOAYLWIKMHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-6-4-5-11(9-12)10-15-18(16,17)13-7-2-1-3-8-13/h1-9,15H,10H2.
What are the key properties of N-[(3-chlorophenyl)methyl]benzenesulfonamide?
N-[(3-chlorophenyl)methyl]benzenesulfonamide 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-[(3-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 22141549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).