3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide

C14H18N2O2S — CID 2546741

IUPAC3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-16(13-7-3-2-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyNWNDXPCMJGCZKK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds3

About 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide

3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 2546741) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID2546741
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H18N2O2S/c1-16(13-7-3-2-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyNWNDXPCMJGCZKK-UHFFFAOYSA-N
XLogP2.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5312148
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CID 697873
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CID 8467960
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CID 229494
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CID 16246434
CID 16246434
CID 27764355
CID 27764355
CID 138627961
CID 138627961
CID 17561991
CID 17561991
CID 57391693
CID 57391693
CID 118308396
CID 118308396
CID 698002
CID 698002
CID 7937969
CID 7937969

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide (CID 2546741) is 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is NWNDXPCMJGCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(13-7-3-2-4-8-13)19(17,18)14-9-5-6-12(10-14)11-15/h5-6,9-10,13H,2-4,7-8H2,1H3.
What are the key properties of 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide?
3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 2546741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).