N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine

C15H22ClNO2S — CID 106512432

IUPACN-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-12(11-17-14-5-3-2-4-6-14)20(18,19)15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3
InChIKeyFCXCRHFUOUXFNA-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine

N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine (PubChem CID 106512432) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine
PubChem CID106512432
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC NameN-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2S/c1-12(11-17-14-5-3-2-4-6-14)20(18,19)15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3
InChIKeyFCXCRHFUOUXFNA-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine (CID 106512432) is N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine is CC(CNC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine?
The InChIKey is FCXCRHFUOUXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-12(11-17-14-5-3-2-4-6-14)20(18,19)15-9-7-13(16)8-10-15/h7-10,12,14,17H,2-6,11H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine?
N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine has a molecular weight of 315.87 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylpropyl]cyclohexanamine is sourced from PubChem (CID 106512432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).