N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide

C14H21NO3S — CID 103835923

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2CO)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-10-6-7-14(11(2)8-10)19(17,18)15-13-5-3-4-12(13)9-16/h6-8,12-13,15-16H,3-5,9H2,1-2H3
InChIKeyNKMYYPCVHOTRJX-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide

N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 103835923) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
PubChem CID103835923
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2CO)c(C)c1
InChIInChI=1S/C14H21NO3S/c1-10-6-7-14(11(2)8-10)19(17,18)15-13-5-3-4-12(13)9-16/h6-8,12-13,15-16H,3-5,9H2,1-2H3
InChIKeyNKMYYPCVHOTRJX-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 103835995
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide (CID 103835923) is N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2CO)c(C)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is NKMYYPCVHOTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-6-7-14(11(2)8-10)19(17,18)15-13-5-3-4-12(13)9-16/h6-8,12-13,15-16H,3-5,9H2,1-2H3.
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 103835923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).