2-(4-chlorophenyl)-N-methylbenzenesulfonamide

C13H12ClNO2S — CID 137643673

IUPAC2-(4-chlorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)Cl
InChIInChI=1S/C13H12ClNO2S/c1-15-18(16,17)13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9,15H,1H3
InChIKeyFBIVTIFVEKXKBU-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-chlorophenyl)-N-methylbenzenesulfonamide

2-(4-chlorophenyl)-N-methylbenzenesulfonamide (PubChem CID 137643673) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methylbenzenesulfonamide
PubChem CID137643673
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name2-(4-chlorophenyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)Cl
InChIInChI=1S/C13H12ClNO2S/c1-15-18(16,17)13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9,15H,1H3
InChIKeyFBIVTIFVEKXKBU-UHFFFAOYSA-N
XLogP3.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity358

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-Chloro-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10268555
4-[2-(4-Chlorophenyl)phenyl]benzenesulfonamide
CID 10545354
N-methyl-2-phenylbenzene-1-sulfonamide
CID 17917283
N-ethyl-2-phenylbenzene-1-sulfonamide
CID 101721160
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
[[[4-(4-Chlorophenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid
CID 53361486
2-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 54673209
2-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 89886501
2-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 137645907
2-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 137651397
2-(3-chlorophenyl)-N-methylbenzenesulfonamide
CID 137658027
5-Chloro-2-methylbenzenesulfonamide
CID 256619

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methylbenzenesulfonamide (CID 137643673) is 2-(4-chlorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is FBIVTIFVEKXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-15-18(16,17)13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9,15H,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methylbenzenesulfonamide?
2-(4-chlorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 137643673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).