2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide

C14H20ClNO3S2 — CID 106002315

IUPAC2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1cc(CO)ccc1Cl
InChIInChI=1S/C14H20ClNO3S2/c1-2-20-13-5-3-4-12(13)16-21(18,19)14-8-10(9-17)6-7-11(14)15/h6-8,12-13,16-17H,2-5,9H2,1H3
InChIKeyGPQFHDFNDRWRLC-UHFFFAOYSA-N
MW349.91 g/mol
LogP2.78
Rot. Bonds6

About 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide

2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 106002315) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
PubChem CID106002315
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1cc(CO)ccc1Cl
InChIInChI=1S/C14H20ClNO3S2/c1-2-20-13-5-3-4-12(13)16-21(18,19)14-8-10(9-17)6-7-11(14)15/h6-8,12-13,16-17H,2-5,9H2,1H3
InChIKeyGPQFHDFNDRWRLC-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 106093469
N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
2-chloro-N-(2-cyclopropylpropan-2-yl)-5-(hydroxymethyl)benzenesulfonamide
CID 106001141
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
5-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)-2-methylfuran-3-sulfonamide
CID 106093408
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorobenzenesulfonamide
CID 106367511
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide (CID 106002315) is 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide is CCSC1CCCC1NS(=O)(=O)c1cc(CO)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is GPQFHDFNDRWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-2-20-13-5-3-4-12(13)16-21(18,19)14-8-10(9-17)6-7-11(14)15/h6-8,12-13,16-17H,2-5,9H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide?
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 349.91 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106002315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).