(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide

C18H17BrCl2N2O3S — CID 41302407

IUPAC(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrCl2N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24)/t12-/m1/s1
InChIKeyMXODFGQPRBMPJG-GFCCVEGCSA-N
MW492.22 g/mol
LogP4.80
Rot. Bonds4

About (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide

(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide (PubChem CID 41302407) has the molecular formula C18H17BrCl2N2O3S and a molecular weight of 492.22 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
PubChem CID41302407
Molecular FormulaC18H17BrCl2N2O3S
Molecular Weight492.22 g/mol
Exact Mass489.95
IUPAC Name(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H17BrCl2N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24)/t12-/m1/s1
InChIKeyMXODFGQPRBMPJG-GFCCVEGCSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 126391105
1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-methoxyphenyl)piperidine-3-carboxamide
CID 5221432
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
1-(4-bromophenyl)sulfonyl-N-(3-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 46696255
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 43042471
(3S)-1-(4-bromophenyl)sulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 126395199
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187
(3R)-N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690844
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide (CID 41302407) is (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The InChIKey is MXODFGQPRBMPJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide has a molecular weight of 492.22 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 41302407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).