3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide

C15H16ClNO3S — CID 74225912

IUPAC3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(CO)c1
InChIInChI=1S/C15H16ClNO3S/c1-10-3-6-15(12(7-10)9-18)17-21(19,20)13-5-4-11(2)14(16)8-13/h3-8,17-18H,9H2,1-2H3
InChIKeyJLAPUYQHSJHKRQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide

3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide (PubChem CID 74225912) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
PubChem CID74225912
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(CO)c1
InChIInChI=1S/C15H16ClNO3S/c1-10-3-6-15(12(7-10)9-18)17-21(19,20)13-5-4-11(2)14(16)8-13/h3-8,17-18H,9H2,1-2H3
InChIKeyJLAPUYQHSJHKRQ-UHFFFAOYSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3870164
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
5-[3-(hydroxymethyl)-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566184
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
N-[4-(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 144649563
N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3814873
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
4-amino-3-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 115329584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide (CID 74225912) is 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(CO)c1.
What is the InChIKey of 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is JLAPUYQHSJHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-3-6-15(12(7-10)9-18)17-21(19,20)13-5-4-11(2)14(16)8-13/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide?
3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 74225912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).