2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide

C14H14ClNO2S — CID 175803772

IUPAC2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2S/c1-10-6-7-14(19(16,17)18)12(8-10)9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyHLCRDYKBXGALDM-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.89
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide

2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 175803772) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID175803772
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(Cc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNO2S/c1-10-6-7-14(19(16,17)18)12(8-10)9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyHLCRDYKBXGALDM-UHFFFAOYSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985871
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985841
(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
CID 118318708
2-amino-4-[(2-chlorophenyl)methylsulfanyl]benzenesulfonamide
CID 103288186
4-methyl-2-[(2-nitrophenyl)methyl]benzenesulfonic acid
CID 19386590
2-bromo-4-chloro-3-methylbenzenesulfonamide
CID 171001870
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
2-[(2-bromophenyl)methyl]-4-nitrobenzenesulfonamide
CID 175587812
2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 175803772) is 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(Cc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is HLCRDYKBXGALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-10-6-7-14(19(16,17)18)12(8-10)9-11-4-2-3-5-13(11)15/h2-8H,9H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175803772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).