3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

C13H16N2O3S — CID 104922365

IUPAC3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C13H16N2O3S/c14-9-10-4-3-5-11(8-10)19(17,18)15-12-6-1-2-7-13(12)16/h3-5,8,12-13,15-16H,1-2,6-7H2/t12-,13-/m1/s1
InChIKeyOYNZWCZHQQYVAL-CHWSQXEVSA-N
MW280.35 g/mol
LogP1.14
Rot. Bonds3

About 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 104922365) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID104922365
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C13H16N2O3S/c14-9-10-4-3-5-11(8-10)19(17,18)15-12-6-1-2-7-13(12)16/h3-5,8,12-13,15-16H,1-2,6-7H2/t12-,13-/m1/s1
InChIKeyOYNZWCZHQQYVAL-CHWSQXEVSA-N
XLogP1.14
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 62361292
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-cyanobenzenesulfonamide
CID 129393228
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
6-cyano-N-(2-hydroxycycloheptyl)pyridine-3-sulfonamide
CID 114613918

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (CID 104922365) is 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is OYNZWCZHQQYVAL-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-9-10-4-3-5-11(8-10)19(17,18)15-12-6-1-2-7-13(12)16/h3-5,8,12-13,15-16H,1-2,6-7H2/t12-,13-/m1/s1.
What are the key properties of 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 104922365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).