3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H16ClNO3S — CID 103270183

IUPAC3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3S/c13-10-2-1-3-12(7-10)18(16,17)14-8-9-4-5-11(15)6-9/h1-3,7,9,11,14-15H,4-6,8H2
InChIKeyHASHUGXVEJFSEH-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 103270183) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID103270183
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO3S/c13-10-2-1-3-12(7-10)18(16,17)14-8-9-4-5-11(15)6-9/h1-3,7,9,11,14-15H,4-6,8H2
InChIKeyHASHUGXVEJFSEH-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106137444
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110719965
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
N-[(3-hydroxycyclopentyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 103270306
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 103270183) is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(O)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is HASHUGXVEJFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-10-2-1-3-12(7-10)18(16,17)14-8-9-4-5-11(15)6-9/h1-3,7,9,11,14-15H,4-6,8H2.
What are the key properties of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103270183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).