3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine

C15H22BrNO2S — CID 64716929

IUPAC3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO2S/c1-2-10-17-13-4-3-5-15(11-13)20(18,19)14-8-6-12(16)7-9-14/h6-9,13,15,17H,2-5,10-11H2,1H3
InChIKeyXUJNTABFOYWKQU-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.53
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine

3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine (PubChem CID 64716929) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
PubChem CID64716929
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H22BrNO2S/c1-2-10-17-13-4-3-5-15(11-13)20(18,19)14-8-6-12(16)7-9-14/h6-9,13,15,17H,2-5,10-11H2,1H3
InChIKeyXUJNTABFOYWKQU-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine (CID 64716929) is 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is XUJNTABFOYWKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-10-17-13-4-3-5-15(11-13)20(18,19)14-8-6-12(16)7-9-14/h6-9,13,15,17H,2-5,10-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine?
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 360.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64716929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).