1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

C20H23BrN2O3S — CID 1327310

IUPAC1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H23BrN2O3S/c1-14-11-15(2)13-18(12-14)22-20(24)16-7-9-23(10-8-16)27(25,26)19-5-3-17(21)4-6-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,22,24)
InChIKeyXSFQDTANACCONT-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 1327310) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID1327310
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H23BrN2O3S/c1-14-11-15(2)13-18(12-14)22-20(24)16-7-9-23(10-8-16)27(25,26)19-5-3-17(21)4-6-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,22,24)
InChIKeyXSFQDTANACCONT-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1327585
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100795683
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 100798986
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 27783378

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide (CID 1327310) is 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is XSFQDTANACCONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-14-11-15(2)13-18(12-14)22-20(24)16-7-9-23(10-8-16)27(25,26)19-5-3-17(21)4-6-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 451.39 g/mol, XLogP of 4.11, 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-(3,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).