(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide

C18H18BrClN2O3S — CID 92865547

IUPAC(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3S/c19-13-4-3-5-15(12-13)21-18(23)17-6-1-2-11-22(17)26(24,25)16-9-7-14(20)8-10-16/h3-5,7-10,12,17H,1-2,6,11H2,(H,21,23)/t17-/m1/s1
InChIKeyTUMDIWRZDNVOMJ-QGZVFWFLSA-N
MW457.78 g/mol
LogP4.28
Rot. Bonds4

About (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide

(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 92865547) has the molecular formula C18H18BrClN2O3S and a molecular weight of 457.78 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
PubChem CID92865547
Molecular FormulaC18H18BrClN2O3S
Molecular Weight457.78 g/mol
Exact Mass455.99
IUPAC Name(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18BrClN2O3S/c19-13-4-3-5-15(12-13)21-18(23)17-6-1-2-11-22(17)26(24,25)16-9-7-14(20)8-10-16/h3-5,7-10,12,17H,1-2,6,11H2,(H,21,23)/t17-/m1/s1
InChIKeyTUMDIWRZDNVOMJ-QGZVFWFLSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
(2S)-N-(3-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8760667
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 41173473
N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862481
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
N-(3-chlorophenyl)-1-(4-nitrophenyl)sulfonylpiperidine-2-carboxamide
CID 42949023
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 92887723
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide (CID 92865547) is (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide is O=C(Nc1cccc(Br)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is TUMDIWRZDNVOMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18BrClN2O3S/c19-13-4-3-5-15(12-13)21-18(23)17-6-1-2-11-22(17)26(24,25)16-9-7-14(20)8-10-16/h3-5,7-10,12,17H,1-2,6,11H2,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide?
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 457.78 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 (2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 92865547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).