3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide

C12H17NO4S — CID 114118203

IUPAC3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cccc(O)c2)C1
InChIInChI=1S/C12H17NO4S/c1-17-11-6-5-9(7-11)13-18(15,16)12-4-2-3-10(14)8-12/h2-4,8-9,11,13-14H,5-7H2,1H3
InChIKeyDUWAMKKANHROLV-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.24
Rot. Bonds4

About 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide

3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide (PubChem CID 114118203) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
PubChem CID114118203
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2cccc(O)c2)C1
InChIInChI=1S/C12H17NO4S/c1-17-11-6-5-9(7-11)13-18(15,16)12-4-2-3-10(14)8-12/h2-4,8-9,11,13-14H,5-7H2,1H3
InChIKeyDUWAMKKANHROLV-UHFFFAOYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091370
4-amino-N-(3-methoxycyclopentyl)thiophene-2-sulfonamide
CID 114117893
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-(aminomethyl)-4-chloro-5-fluoro-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106093102

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide (CID 114118203) is 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide is COC1CCC(NS(=O)(=O)c2cccc(O)c2)C1.
What is the InChIKey of 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide?
The InChIKey is DUWAMKKANHROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-17-11-6-5-9(7-11)13-18(15,16)12-4-2-3-10(14)8-12/h2-4,8-9,11,13-14H,5-7H2,1H3.
What are the key properties of 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide?
3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114118203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).