2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

C14H14ClNO3S — CID 111444701

IUPAC2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-6-7-11(9-17)8-13(10)16-20(18,19)14-5-3-2-4-12(14)15/h2-8,16-17H,9H2,1H3
InChIKeyPUKVULZPMVSWSM-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.94
Rot. Bonds4

About 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (PubChem CID 111444701) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
PubChem CID111444701
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-6-7-11(9-17)8-13(10)16-20(18,19)14-5-3-2-4-12(14)15/h2-8,16-17H,9H2,1H3
InChIKeyPUKVULZPMVSWSM-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
5-bromo-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methoxybenzenesulfonamide
CID 3825537
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
4-bromo-2,5-dichloro-N-[5-(hydroxymethyl)-2-methylphenyl]thiophene-3-sulfonamide
CID 3377394
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (CID 111444701) is 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is Cc1ccc(CO)cc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is PUKVULZPMVSWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-6-7-11(9-17)8-13(10)16-20(18,19)14-5-3-2-4-12(14)15/h2-8,16-17H,9H2,1H3.
What are the key properties of 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 111444701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).