5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide

C13H18ClNO3S — CID 82891157

IUPAC5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-9-10(8-16)6-11(14)7-13(9)19(17,18)15-12-4-2-3-5-12/h6-7,12,15-16H,2-5,8H2,1H3
InChIKeyZANRCWFRGUOHAX-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.36
Rot. Bonds4

About 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide

5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 82891157) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID82891157
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H18ClNO3S/c1-9-10(8-16)6-11(14)7-13(9)19(17,18)15-12-4-2-3-5-12/h6-7,12,15-16H,2-5,8H2,1H3
InChIKeyZANRCWFRGUOHAX-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
5-chloro-3-(hydroxymethyl)-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82891386
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551650
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 82891157) is 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1c(CO)cc(Cl)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is ZANRCWFRGUOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-10(8-16)6-11(14)7-13(9)19(17,18)15-12-4-2-3-5-12/h6-7,12,15-16H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 82891157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).