N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide

C19H28N2O2S — CID 18713992

IUPACN-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
InChIKeyAIALBPYHYGYYRB-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.80
Rot. Bonds6

About N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide

N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 18713992) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
PubChem CID18713992
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3
InChIKeyAIALBPYHYGYYRB-UHFFFAOYSA-N
XLogP3.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
4-[4-[1-(3-amino-4-methylphenyl)propan-2-yl]cyclohexyl]benzonitrile
CID 143699020
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
(2R)-N-(4-cyanophenyl)-2-(4-phenylcyclohexyl)propanamide
CID 121325031
4-[4-(4-heptan-2-yloxyphenyl)cyclohexyl]benzonitrile
CID 21318420
4-[4-(4-butan-2-yloxycyclohexyl)phenyl]benzonitrile
CID 21318379
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-[4-(3-methylpentyl)cyclohexyl]benzonitrile
CID 22755305
4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzonitrile
CID 59875355

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide (CID 18713992) is N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is AIALBPYHYGYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-7,14-15,17,19,21H,8-11,13H2,1-3H3.
What are the key properties of N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide?
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 348.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18713992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).