1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide

C18H17BrF2N2O3S — CID 42933740

IUPAC1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrF2N2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-9-6-13(20)11-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24)
InChIKeyNEUIWXVYAQTKKF-UHFFFAOYSA-N
MW459.31 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide (PubChem CID 42933740) has the molecular formula C18H17BrF2N2O3S and a molecular weight of 459.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
PubChem CID42933740
Molecular FormulaC18H17BrF2N2O3S
Molecular Weight459.31 g/mol
Exact Mass458.01
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrF2N2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-9-6-13(20)11-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24)
InChIKeyNEUIWXVYAQTKKF-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide (CID 42933740) is 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide is O=C(Nc1ccc(F)cc1F)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide?
The InChIKey is NEUIWXVYAQTKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-9-6-13(20)11-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide has a molecular weight of 459.31 g/mol, XLogP of 3.91, 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-(2,4-difluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 42933740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).