(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide

C18H17BrClFN2O3S — CID 26026607

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrClFN2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-11-13(20)6-9-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24)/t17-/m0/s1
InChIKeyCIBAFDFZMFSOCI-KRWDZBQOSA-N
MW475.77 g/mol
LogP4.42
Rot. Bonds4

About (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide

(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide (PubChem CID 26026607) has the molecular formula C18H17BrClFN2O3S and a molecular weight of 475.77 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
PubChem CID26026607
Molecular FormulaC18H17BrClFN2O3S
Molecular Weight475.77 g/mol
Exact Mass473.98
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrClFN2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-11-13(20)6-9-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24)/t17-/m0/s1
InChIKeyCIBAFDFZMFSOCI-KRWDZBQOSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
(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
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 166835448
(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
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide (CID 26026607) is (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide is O=C(Nc1cc(Cl)ccc1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is CIBAFDFZMFSOCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17BrClFN2O3S/c19-12-4-7-14(8-5-12)27(25,26)23-10-2-1-3-17(23)18(24)22-16-11-13(20)6-9-15(16)21/h4-9,11,17H,1-3,10H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide?
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 475.77 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 26026607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).