4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

C13H19NO3S2 — CID 106001430

IUPAC4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3S2/c1-18-13-4-2-3-12(13)14-19(16,17)11-7-5-10(9-15)6-8-11/h5-8,12-15H,2-4,9H2,1H3
InChIKeyQOCZFKYEZDAICI-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.74
Rot. Bonds5

About 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide

4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 106001430) has the molecular formula C13H19NO3S2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID106001430
Molecular FormulaC13H19NO3S2
Molecular Weight301.43 g/mol
Exact Mass301.08
IUPAC Name4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
SMILESCSC1CCCC1NS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3S2/c1-18-13-4-2-3-12(13)14-19(16,17)11-7-5-10(9-15)6-8-11/h5-8,12-15H,2-4,9H2,1H3
InChIKeyQOCZFKYEZDAICI-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(hydroxymethyl)phenyl]-N-(2-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001484
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
3-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 113498458
4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)methylsulfanyl]cyclohexyl]benzenesulfonamide
CID 11014616
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
4-cyano-3-methyl-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106833406
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide (CID 106001430) is 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is CSC1CCCC1NS(=O)(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is QOCZFKYEZDAICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S2/c1-18-13-4-2-3-12(13)14-19(16,17)11-7-5-10(9-15)6-8-11/h5-8,12-15H,2-4,9H2,1H3.
What are the key properties of 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide?
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).