2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

C16H24BrNO2S — CID 64645859

IUPAC2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2S/c1-11(2)12-4-9-15(18-3)16(10-12)21(19,20)14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyLAWGAKWLXFQLNB-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64645859) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64645859
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO2S/c1-11(2)12-4-9-15(18-3)16(10-12)21(19,20)14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3
InChIKeyLAWGAKWLXFQLNB-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-methyl-4-propylcyclohexan-1-amine
CID 64646653
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
2-(benzenesulfonyl)-4-propan-2-ylcyclohexan-1-ol
CID 62917891
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64903866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 64645859) is 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is LAWGAKWLXFQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c1-11(2)12-4-9-15(18-3)16(10-12)21(19,20)14-7-5-13(17)6-8-14/h5-8,11-12,15-16,18H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-(4-bromophenyl)sulfonyl-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 374.34 g/mol, XLogP of 3.64, 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-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64645859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).