4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C14H18N2O3S — CID 103270235

IUPAC4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c15-8-7-11-2-5-14(6-3-11)20(18,19)16-10-12-1-4-13(17)9-12/h2-3,5-6,12-13,16-17H,1,4,7,9-10H2
InChIKeyJGPVAZGBGXQCRN-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.19
Rot. Bonds5

About 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 103270235) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID103270235
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2CCC(O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c15-8-7-11-2-5-14(6-3-11)20(18,19)16-10-12-1-4-13(17)9-12/h2-3,5-6,12-13,16-17H,1,4,7,9-10H2
InChIKeyJGPVAZGBGXQCRN-UHFFFAOYSA-N
XLogP1.19
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270285
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
N-(cyclopropylmethyl)-4-(4-prop-2-ynylphenyl)benzenesulfonamide
CID 162354184
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 103270235) is 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is N#CCc1ccc(S(=O)(=O)NCC2CCC(O)C2)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is JGPVAZGBGXQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-8-7-11-2-5-14(6-3-11)20(18,19)16-10-12-1-4-13(17)9-12/h2-3,5-6,12-13,16-17H,1,4,7,9-10H2.
What are the key properties of 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103270235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).