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

C18H18BrClN2O3S — CID 166626240

IUPACN-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H18BrClN2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-9-11-22(12-10-13)26(24,25)17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H,21,23)
InChIKeyIJJCUBXHYWZGKM-UHFFFAOYSA-N
MW457.78 g/mol
LogP4.14
Rot. Bonds4

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

N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 166626240) has the molecular formula C18H18BrClN2O3S and a molecular weight of 457.78 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID166626240
Molecular FormulaC18H18BrClN2O3S
Molecular Weight457.78 g/mol
Exact Mass455.99
IUPAC NameN-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H18BrClN2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-9-11-22(12-10-13)26(24,25)17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H,21,23)
InChIKeyIJJCUBXHYWZGKM-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2,5-dibromophenyl)sulfonylpiperidine-4-carboxamide
CID 166353516
1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935009
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 100798986
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
N-(3-bromophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935021

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 166626240) is N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IJJCUBXHYWZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-9-11-22(12-10-13)26(24,25)17-4-2-1-3-16(17)20/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 457.78 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 166626240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).