4-(5-chloro-2-methylphenyl)benzenesulfonamide

C13H12ClNO2S — CID 126754935

IUPAC4-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H12ClNO2S/c1-9-2-5-11(14)8-13(9)10-3-6-12(7-4-10)18(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyUSSDNQHZXHUBOD-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.96
Rot. Bonds2

About 4-(5-chloro-2-methylphenyl)benzenesulfonamide

4-(5-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 126754935) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID126754935
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name4-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H12ClNO2S/c1-9-2-5-11(14)8-13(9)10-3-6-12(7-4-10)18(15,16)17/h2-8H,1H3,(H2,15,16,17)
InChIKeyUSSDNQHZXHUBOD-UHFFFAOYSA-N
XLogP2.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
4-[2-(4-chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10810604
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-(5-chloro-2-methylphenyl)benzenesulfinamide;hydrate
CID 159393364
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130466695
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-methyl-3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490711

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)benzenesulfonamide (CID 126754935) is 4-(5-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)benzenesulfonamide is Cc1ccc(Cl)cc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is USSDNQHZXHUBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-9-2-5-11(14)8-13(9)10-3-6-12(7-4-10)18(15,16)17/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(5-chloro-2-methylphenyl)benzenesulfonamide?
4-(5-chloro-2-methylphenyl)benzenesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 126754935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).