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

C13H16N2O3S — CID 79185566

IUPAC4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c14-6-5-10-1-3-13(4-2-10)19(17,18)15-9-11-7-12(16)8-11/h1-4,11-12,15-16H,5,7-9H2
InChIKeyFYGDDDBNKADCAX-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.80
Rot. Bonds5

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

4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 79185566) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID79185566
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H16N2O3S/c14-6-5-10-1-3-13(4-2-10)19(17,18)15-9-11-7-12(16)8-11/h1-4,11-12,15-16H,5,7-9H2
InChIKeyFYGDDDBNKADCAX-UHFFFAOYSA-N
XLogP0.80
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
4-ethyl-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66006962
4-(cyanomethyl)-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103721136
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
N-[2-[[4-(cyanomethyl)phenyl]sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115671890
3,4-difluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005031
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
3-[[4-(cyanomethyl)phenyl]sulfonylamino]propanoic acid
CID 79185253
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548799

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 79185566) is 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is N#CCc1ccc(S(=O)(=O)NCC2CC(O)C2)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is FYGDDDBNKADCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-6-5-10-1-3-13(4-2-10)19(17,18)15-9-11-7-12(16)8-11/h1-4,11-12,15-16H,5,7-9H2.
What are the key properties of 4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.80, 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-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 79185566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).