(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide

C19H20BrClN2O3S — CID 92887776

IUPAC(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C19H20BrClN2O3S/c1-13-5-10-17(16(21)12-13)22-19(24)18-4-2-3-11-23(18)27(25,26)15-8-6-14(20)7-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyDXPVSMZLZYIJJF-GOSISDBHSA-N
MW471.80 g/mol
LogP4.59
Rot. Bonds4

About (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide

(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide (PubChem CID 92887776) has the molecular formula C19H20BrClN2O3S and a molecular weight of 471.80 g/mol. Its IUPAC name is (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
PubChem CID92887776
Molecular FormulaC19H20BrClN2O3S
Molecular Weight471.80 g/mol
Exact Mass470.01
IUPAC Name(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C19H20BrClN2O3S/c1-13-5-10-17(16(21)12-13)22-19(24)18-4-2-3-11-23(18)27(25,26)15-8-6-14(20)7-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyDXPVSMZLZYIJJF-GOSISDBHSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 92887697
(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41023465
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42935531
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide (CID 92887776) is (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide?
The InChIKey is DXPVSMZLZYIJJF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20BrClN2O3S/c1-13-5-10-17(16(21)12-13)22-19(24)18-4-2-3-11-23(18)27(25,26)15-8-6-14(20)7-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide?
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide has a molecular weight of 471.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 92887776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).