4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide

C14H18N2O3S — CID 97239465

IUPAC4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c15-9-11-4-6-14(7-5-11)20(18,19)16-10-12-2-1-3-13(17)8-12/h4-7,12-13,16-17H,1-3,8,10H2/t12-,13-/m1/s1
InChIKeySOJOIIFZPFCKAT-CHWSQXEVSA-N
MW294.38 g/mol
LogP1.39
Rot. Bonds4

About 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide

4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide (PubChem CID 97239465) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
PubChem CID97239465
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1
InChIInChI=1S/C14H18N2O3S/c15-9-11-4-6-14(7-5-11)20(18,19)16-10-12-2-1-3-13(17)8-12/h4-7,12-13,16-17H,1-3,8,10H2/t12-,13-/m1/s1
InChIKeySOJOIIFZPFCKAT-CHWSQXEVSA-N
XLogP1.39
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
4-(cyanomethyl)-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270235
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
3-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66007403
4-(cyanomethyl)-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 79185566
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
N-[4-[(3-hydroxycyclopentyl)methylsulfamoyl]phenyl]acetamide
CID 103270149

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide (CID 97239465) is 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1.
What is the InChIKey of 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide?
The InChIKey is SOJOIIFZPFCKAT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-9-11-4-6-14(7-5-11)20(18,19)16-10-12-2-1-3-13(17)8-12/h4-7,12-13,16-17H,1-3,8,10H2/t12-,13-/m1/s1.
What are the key properties of 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide?
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide is sourced from PubChem (CID 97239465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).