(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide

C19H21BrN2O4S — CID 41302466

IUPAC(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-6-2-5-16(12-17)21-19(23)14-4-3-11-22(13-14)27(24,25)18-9-7-15(20)8-10-18/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyJVDVKSHYQBGNHE-AWEZNQCLSA-N
MW453.36 g/mol
LogP3.50
Rot. Bonds5

About (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 41302466) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID41302466
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C19H21BrN2O4S/c1-26-17-6-2-5-16(12-17)21-19(23)14-4-3-11-22(13-14)27(24,25)18-9-7-15(20)8-10-18/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyJVDVKSHYQBGNHE-AWEZNQCLSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 4045668
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 126398428
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 1243346
(3S)-1-(4-bromophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 26015111
N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 22519264
(3S)-N-(3-methoxyphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681768
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 9226890
N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 73401775
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
N-(3-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 51219116
(3S)-1-(4-bromophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 41302306

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 41302466) is (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide is COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1.
What is the InChIKey of (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is JVDVKSHYQBGNHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-17-6-2-5-16(12-17)21-19(23)14-4-3-11-22(13-14)27(24,25)18-9-7-15(20)8-10-18/h2,5-10,12,14H,3-4,11,13H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 453.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 41302466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).