1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide

C18H17BrClFN2O3S — CID 46696255

IUPAC1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrClFN2O3S/c19-13-6-8-14(9-7-13)27(25,26)23-10-2-3-12(11-23)18(24)22-16-5-1-4-15(20)17(16)21/h1,4-9,12H,2-3,10-11H2,(H,22,24)
InChIKeyNNBCGOGLZQVJRC-UHFFFAOYSA-N
MW475.77 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide

1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 46696255) has the molecular formula C18H17BrClFN2O3S and a molecular weight of 475.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide
PubChem CID46696255
Molecular FormulaC18H17BrClFN2O3S
Molecular Weight475.77 g/mol
Exact Mass473.98
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrClFN2O3S/c19-13-6-8-14(9-7-13)27(25,26)23-10-2-3-12(11-23)18(24)22-16-5-1-4-15(20)17(16)21/h1,4-9,12H,2-3,10-11H2,(H,22,24)
InChIKeyNNBCGOGLZQVJRC-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 126391105
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 41302407
(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
(3S)-1-(4-bromophenyl)sulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126395199
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
(3S)-1-(benzenesulfonyl)-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 27160447
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide (CID 46696255) is 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1F)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is NNBCGOGLZQVJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2O3S/c19-13-6-8-14(9-7-13)27(25,26)23-10-2-3-12(11-23)18(24)22-16-5-1-4-15(20)17(16)21/h1,4-9,12H,2-3,10-11H2,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 475.77 g/mol, XLogP of 4.28, 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-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46696255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).