N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide

C14H14ClNO3S — CID 107318048

IUPACN-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-13(15)6-3-7-14(10)16-20(18,19)12-5-2-4-11(8-12)9-17/h2-8,16-17H,9H2,1H3
InChIKeyTUGLWYBZJGYTFQ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.94
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide

N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 107318048) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
PubChem CID107318048
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-13(15)6-3-7-14(10)16-20(18,19)12-5-2-4-11(8-12)9-17/h2-8,16-17H,9H2,1H3
InChIKeyTUGLWYBZJGYTFQ-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

3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
6-amino-5-chloro-N-(3-chloro-2-methylphenyl)pyridine-3-sulfonamide
CID 64606596

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide (CID 107318048) is N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(CO)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is TUGLWYBZJGYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-13(15)6-3-7-14(10)16-20(18,19)12-5-2-4-11(8-12)9-17/h2-8,16-17H,9H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide?
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)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 N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 107318048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).