3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

C14H21NO3S — CID 114551624

IUPAC3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H21NO3S/c1-10-6-7-13(8-10)15-19(17,18)14-5-3-4-12(9-16)11(14)2/h3-5,10,13,15-16H,6-9H2,1-2H3
InChIKeyGGSZJBSQGREYAF-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.95
Rot. Bonds4

About 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide

3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551624) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551624
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H21NO3S/c1-10-6-7-13(8-10)15-19(17,18)14-5-3-4-12(9-16)11(14)2/h3-5,10,13,15-16H,6-9H2,1-2H3
InChIKeyGGSZJBSQGREYAF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551650
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
2-(chloromethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 114264300
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
3-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084483
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114540123
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551624) is 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is Cc1c(CO)cccc1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is GGSZJBSQGREYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-6-7-13(8-10)15-19(17,18)14-5-3-4-12(9-16)11(14)2/h3-5,10,13,15-16H,6-9H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide?
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).