4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

C13H16N2O3S — CID 65113107

IUPAC4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C13H16N2O3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-10-13(16)7-1-2-8-13/h3-6,15-16H,1-2,7-8,10H2
InChIKeySSWYUWIFMVKWEZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.14
Rot. Bonds4

About 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 65113107) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID65113107
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C13H16N2O3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-10-13(16)7-1-2-8-13/h3-6,15-16H,1-2,7-8,10H2
InChIKeySSWYUWIFMVKWEZ-UHFFFAOYSA-N
XLogP1.14
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 103990185
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
4-cyano-N-[(1-hydroxycyclobutyl)methyl]-3-methylbenzenesulfonamide
CID 106833347
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 65113107) is 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is SSWYUWIFMVKWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-9-11-3-5-12(6-4-11)19(17,18)15-10-13(16)7-1-2-8-13/h3-6,15-16H,1-2,7-8,10H2.
What are the key properties of 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65113107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).