2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine

C15H22ClNO2S — CID 64675224

IUPAC2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO2S/c1-10(2)11-6-7-14(17)15(8-11)20(18,19)13-5-3-4-12(16)9-13/h3-5,9-11,14-15H,6-8,17H2,1-2H3
InChIKeyXUYAEQBAMNRDJO-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.27
Rot. Bonds3

About 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine

2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64675224) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64675224
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO2S/c1-10(2)11-6-7-14(17)15(8-11)20(18,19)13-5-3-4-12(16)9-13/h3-5,9-11,14-15H,6-8,17H2,1-2H3
InChIKeyXUYAEQBAMNRDJO-UHFFFAOYSA-N
XLogP3.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine (CID 64675224) is 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is XUYAEQBAMNRDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-10(2)11-6-7-14(17)15(8-11)20(18,19)13-5-3-4-12(16)9-13/h3-5,9-11,14-15H,6-8,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine?
2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 315.87 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64675224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).