3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide

C15H20N2O4S — CID 67227237

IUPAC3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide
SMILESCC1(O)CCC(COc2ccc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C15H20N2O4S/c1-15(18)6-4-11(5-7-15)10-21-14-3-2-13(22(17,19)20)8-12(14)9-16/h2-3,8,11,18H,4-7,10H2,1H3,(H2,17,19,20)
InChIKeyQZNAPFZNKAGPCB-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.53
Rot. Bonds4

About 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide

3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide (PubChem CID 67227237) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide
PubChem CID67227237
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide
SMILESCC1(O)CCC(COc2ccc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C15H20N2O4S/c1-15(18)6-4-11(5-7-15)10-21-14-3-2-13(22(17,19)20)8-12(14)9-16/h2-3,8,11,18H,4-7,10H2,1H3,(H2,17,19,20)
InChIKeyQZNAPFZNKAGPCB-UHFFFAOYSA-N
XLogP1.53
TPSA113.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
CID 67227799
4-cyano-3-ethoxybenzenesulfonamide
CID 5021737
4-[(3,3-dimethyl-2,4-dioxaspiro[5.5]undecan-9-yl)methoxy]-3-nitrobenzenesulfonamide
CID 67126715
4-(cyclopentylmethoxy)-3-methylbenzenesulfonamide
CID 61344661
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449
4-[4-[(4-hydroxy-4-methylcyclohexyl)methylsulfonyl]phenyl]benzene-1,3-dicarbonitrile
CID 166027388
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
3-nitro-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 62349516
4-amino-3-cyanobenzenesulfonamide
CID 45080631
4-cyano-3-[cyclobutylmethyl(methyl)amino]benzenesulfonamide
CID 119050895

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide (CID 67227237) is 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide is CC1(O)CCC(COc2ccc(S(N)(=O)=O)cc2C#N)CC1.
What is the InChIKey of 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide?
The InChIKey is QZNAPFZNKAGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-15(18)6-4-11(5-7-15)10-21-14-3-2-13(22(17,19)20)8-12(14)9-16/h2-3,8,11,18H,4-7,10H2,1H3,(H2,17,19,20).
What are the key properties of 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide?
3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[(4-hydroxy-4-methylcyclohexyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 67227237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).