2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine

C15H22BrNO2S — CID 64645455

IUPAC2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-17-14-6-4-3-5-7-15(14)20(18,19)13-10-8-12(16)9-11-13/h8-11,14-15,17H,2-7H2,1H3
InChIKeyNKQJPHBNYHIGPT-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine

2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine (PubChem CID 64645455) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
PubChem CID64645455
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-17-14-6-4-3-5-7-15(14)20(18,19)13-10-8-12(16)9-11-13/h8-11,14-15,17H,2-7H2,1H3
InChIKeyNKQJPHBNYHIGPT-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-ethyl-2-(4-nitrophenyl)sulfonylcyclohexan-1-amine
CID 64645323
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
2-(4-bromophenyl)sulfonylcycloheptan-1-ol
CID 106584989
2-(4-bromophenyl)sulfonylcycloheptan-1-amine
CID 64646056
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine (CID 64645455) is 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine?
The InChIKey is NKQJPHBNYHIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-17-14-6-4-3-5-7-15(14)20(18,19)13-10-8-12(16)9-11-13/h8-11,14-15,17H,2-7H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine?
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine has a molecular weight of 360.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 64645455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).