1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide

C19H27BrN2O3S — CID 24606231

IUPAC1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H27BrN2O3S/c1-14-4-8-17(9-5-14)21-19(23)15-3-2-12-22(13-15)26(24,25)18-10-6-16(20)7-11-18/h6-7,10-11,14-15,17H,2-5,8-9,12-13H2,1H3,(H,21,23)
InChIKeyMJAGXMSEVCBRHS-UHFFFAOYSA-N
MW443.41 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide

1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide (PubChem CID 24606231) has the molecular formula C19H27BrN2O3S and a molecular weight of 443.41 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
PubChem CID24606231
Molecular FormulaC19H27BrN2O3S
Molecular Weight443.41 g/mol
Exact Mass442.09
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H27BrN2O3S/c1-14-4-8-17(9-5-14)21-19(23)15-3-2-12-22(13-15)26(24,25)18-10-6-16(20)7-11-18/h6-7,10-11,14-15,17H,2-5,8-9,12-13H2,1H3,(H,21,23)
InChIKeyMJAGXMSEVCBRHS-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-ethylsulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 3238187
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3S)-N-(4-methylcyclohexyl)-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 92708441
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide (CID 24606231) is 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide is CC1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is MJAGXMSEVCBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O3S/c1-14-4-8-17(9-5-14)21-19(23)15-3-2-12-22(13-15)26(24,25)18-10-6-16(20)7-11-18/h6-7,10-11,14-15,17H,2-5,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 443.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 24606231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).