(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide

C18H18BrFN2O3S — CID 41302452

IUPAC(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H18BrFN2O3S/c19-14-3-9-17(10-4-14)26(24,25)22-11-1-2-13(12-22)18(23)21-16-7-5-15(20)6-8-16/h3-10,13H,1-2,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyKKAKIQYSNNZXEW-ZDUSSCGKSA-N
MW441.32 g/mol
LogP3.63
Rot. Bonds4

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

(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 41302452) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
PubChem CID41302452
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC Name(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H18BrFN2O3S/c19-14-3-9-17(10-4-14)26(24,25)22-11-1-2-13(12-22)18(23)21-16-7-5-15(20)6-8-16/h3-10,13H,1-2,11-12H2,(H,21,23)/t13-/m0/s1
InChIKeyKKAKIQYSNNZXEW-ZDUSSCGKSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 126380948
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3938384
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
methyl 4-[[(3R)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 2234292
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide (CID 41302452) is (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is KKAKIQYSNNZXEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c19-14-3-9-17(10-4-14)26(24,25)22-11-1-2-13(12-22)18(23)21-16-7-5-15(20)6-8-16/h3-10,13H,1-2,11-12H2,(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide?
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 441.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 41302452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).