3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

C14H17ClN2O3S — CID 102632222

IUPAC3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H17ClN2O3S/c1-17(13-4-2-3-5-14(13)18)21(19,20)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,18H,2-5H2,1H3
InChIKeyCKZYHNZATMZFGO-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 102632222) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
PubChem CID102632222
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H17ClN2O3S/c1-17(13-4-2-3-5-14(13)18)21(19,20)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,18H,2-5H2,1H3
InChIKeyCKZYHNZATMZFGO-UHFFFAOYSA-N
XLogP2.14
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128977135
2-chloro-4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 128977293
1-(2-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19916358
[1-(3-Chloro-4-methylphenyl)sulfonylpiperidin-2-yl]methanol
CID 23963842
[1-(3-Chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methanol
CID 43574444
4-Chloro-2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 43574482
2-Chloro-4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 45822233
N-butan-2-yl-3-chloro-4-cyano-N-(2-methoxyethyl)benzenesulfonamide
CID 47065100
3-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 47305099
3-chloro-4-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 47306035
3-chloro-4-cyano-N-cyclohexyl-N-methylbenzenesulfonamide
CID 47314929
3-chloro-4-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 52697190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (CID 102632222) is 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is CKZYHNZATMZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-17(13-4-2-3-5-14(13)18)21(19,20)11-7-6-10(9-16)12(15)8-11/h6-8,13-14,18H,2-5H2,1H3.
What are the key properties of 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102632222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).