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

C18H18BrClN2O3S — CID 16862481

IUPACN-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18BrClN2O3S/c19-14-4-1-5-16(11-14)21-18(23)13-3-2-10-22(12-13)26(24,25)17-8-6-15(20)7-9-17/h1,4-9,11,13H,2-3,10,12H2,(H,21,23)
InChIKeyQGGLNAGPSBUHKZ-UHFFFAOYSA-N
MW457.78 g/mol
LogP4.14
Rot. Bonds4

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

N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 16862481) has the molecular formula C18H18BrClN2O3S and a molecular weight of 457.78 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID16862481
Molecular FormulaC18H18BrClN2O3S
Molecular Weight457.78 g/mol
Exact Mass455.99
IUPAC NameN-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H18BrClN2O3S/c19-14-4-1-5-16(11-14)21-18(23)13-3-2-10-22(12-13)26(24,25)17-8-6-15(20)7-9-17/h1,4-9,11,13H,2-3,10,12H2,(H,21,23)
InChIKeyQGGLNAGPSBUHKZ-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-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673036
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300
(3R)-N-(3-bromophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447080
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (CID 16862481) is N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QGGLNAGPSBUHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3S/c19-14-4-1-5-16(11-14)21-18(23)13-3-2-10-22(12-13)26(24,25)17-8-6-15(20)7-9-17/h1,4-9,11,13H,2-3,10,12H2,(H,21,23).
What are the key properties of N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-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-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16862481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).