N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide

C14H21NO3S — CID 81258221

IUPACN-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cccc(O)c2)C1C
InChIInChI=1S/C14H21NO3S/c1-3-11-7-8-14(10(11)2)15-19(17,18)13-6-4-5-12(16)9-13/h4-6,9-11,14-16H,3,7-8H2,1-2H3
InChIKeyRAQKYAXHGHUIAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.50
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide

N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide (PubChem CID 81258221) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
PubChem CID81258221
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cccc(O)c2)C1C
InChIInChI=1S/C14H21NO3S/c1-3-11-7-8-14(10(11)2)15-19(17,18)13-6-4-5-12(16)9-13/h4-6,9-11,14-16H,3,7-8H2,1-2H3
InChIKeyRAQKYAXHGHUIAT-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide (CID 81258221) is N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cccc(O)c2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide?
The InChIKey is RAQKYAXHGHUIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-11-7-8-14(10(11)2)15-19(17,18)13-6-4-5-12(16)9-13/h4-6,9-11,14-16H,3,7-8H2,1-2H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide?
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81258221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).