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

C22H25BrN2O3S — CID 134036653

IUPAC1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C22H25BrN2O3S/c23-19-9-11-20(12-10-19)29(27,28)25-15-4-6-17(16-25)21(26)24-22(13-5-14-22)18-7-2-1-3-8-18/h1-3,7-12,17H,4-6,13-16H2,(H,24,26)
InChIKeyXUIUCUOMPJUYJH-UHFFFAOYSA-N
MW477.42 g/mol
LogP4.05
Rot. Bonds5

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

1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide (PubChem CID 134036653) has the molecular formula C22H25BrN2O3S and a molecular weight of 477.42 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
PubChem CID134036653
Molecular FormulaC22H25BrN2O3S
Molecular Weight477.42 g/mol
Exact Mass476.08
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C22H25BrN2O3S/c23-19-9-11-20(12-10-19)29(27,28)25-15-4-6-17(16-25)21(26)24-22(13-5-14-22)18-7-2-1-3-8-18/h1-3,7-12,17H,4-6,13-16H2,(H,24,26)
InChIKeyXUIUCUOMPJUYJH-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 54.05
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
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028451
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 126380948

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide (CID 134036653) is 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide is O=C(NC1(c2ccccc2)CCC1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide?
The InChIKey is XUIUCUOMPJUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3S/c23-19-9-11-20(12-10-19)29(27,28)25-15-4-6-17(16-25)21(26)24-22(13-5-14-22)18-7-2-1-3-8-18/h1-3,7-12,17H,4-6,13-16H2,(H,24,26).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide has a molecular weight of 477.42 g/mol, XLogP of 4.05, 5 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-(1-phenylcyclobutyl)piperidine-3-carboxamide is sourced from PubChem (CID 134036653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).