N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide

C16H25NO3S — CID 81265308

IUPACN-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)10-11-17(14-6-3-4-7-14)21(19,20)16-9-5-8-15(18)12-16/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyNFSNSBAXAWQZDY-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.37
Rot. Bonds6

About N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide

N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 81265308) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
PubChem CID81265308
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C16H25NO3S/c1-13(2)10-11-17(14-6-3-4-7-14)21(19,20)16-9-5-8-15(18)12-16/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyNFSNSBAXAWQZDY-UHFFFAOYSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 78982765
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-amino-N-cyclopentyl-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103306540
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
N-cyclopropyl-3-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 79014594
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide (CID 81265308) is N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCN(C1CCCC1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is NFSNSBAXAWQZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(2)10-11-17(14-6-3-4-7-14)21(19,20)16-9-5-8-15(18)12-16/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide?
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 81265308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).