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

C15H20N2O3S — CID 62527220

IUPAC4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N2O3S/c1-12-3-2-8-15(9-12,11-18)17-21(19,20)14-6-4-13(10-16)5-7-14/h4-7,12,17-18H,2-3,8-9,11H2,1H3
InChIKeyRISOMKQDKVMHHX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.78
Rot. Bonds4

About 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62527220) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62527220
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N2O3S/c1-12-3-2-8-15(9-12,11-18)17-21(19,20)14-6-4-13(10-16)5-7-14/h4-7,12,17-18H,2-3,8-9,11H2,1H3
InChIKeyRISOMKQDKVMHHX-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-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902827
2-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527401
4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525698
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-4-nitrobenzonitrile
CID 104713642
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-methoxybenzenesulfonamide
CID 63766993
4-N-[1-(hydroxymethyl)cyclobutyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115903007
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62527220) is 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is RISOMKQDKVMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12-3-2-8-15(9-12,11-18)17-21(19,20)14-6-4-13(10-16)5-7-14/h4-7,12,17-18H,2-3,8-9,11H2,1H3.
What are the key properties of 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
4-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 4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62527220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).