2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

C15H20N2O3S — CID 62527401

IUPAC2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O3S/c1-12-5-4-8-15(9-12,11-18)17-21(19,20)14-7-3-2-6-13(14)10-16/h2-3,6-7,12,17-18H,4-5,8-9,11H2,1H3
InChIKeyFDHYRLLKABWRCD-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.78
Rot. Bonds4

About 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62527401) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62527401
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccccc2C#N)C1
InChIInChI=1S/C15H20N2O3S/c1-12-5-4-8-15(9-12,11-18)17-21(19,20)14-7-3-2-6-13(14)10-16/h2-3,6-7,12,17-18H,4-5,8-9,11H2,1H3
InChIKeyFDHYRLLKABWRCD-UHFFFAOYSA-N
XLogP1.78
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-methylbenzonitrile
CID 107111129
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
CID 62526707
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
2-chloro-4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]benzonitrile
CID 62945046
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide
CID 62525659

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62527401) is 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2ccccc2C#N)C1.
What is the InChIKey of 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is FDHYRLLKABWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-5-4-8-15(9-12,11-18)17-21(19,20)14-7-3-2-6-13(14)10-16/h2-3,6-7,12,17-18H,4-5,8-9,11H2,1H3.
What are the key properties of 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62527401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).