1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

C19H20BrClN2O3S — CID 42889021

IUPAC1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20BrClN2O3S/c1-13(16-5-2-3-6-17(16)21)22-19(24)18-7-4-12-23(18)27(25,26)15-10-8-14(20)9-11-15/h2-3,5-6,8-11,13,18H,4,7,12H2,1H3,(H,22,24)
InChIKeyCIVORSBPSGIXRP-UHFFFAOYSA-N
MW471.80 g/mol
LogP4.13
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 42889021) has the molecular formula C19H20BrClN2O3S and a molecular weight of 471.80 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID42889021
Molecular FormulaC19H20BrClN2O3S
Molecular Weight471.80 g/mol
Exact Mass470.01
IUPAC Name1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20BrClN2O3S/c1-13(16-5-2-3-6-17(16)21)22-19(24)18-7-4-12-23(18)27(25,26)15-10-8-14(20)9-11-15/h2-3,5-6,8-11,13,18H,4,7,12H2,1H3,(H,22,24)
InChIKeyCIVORSBPSGIXRP-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 30256224
(2R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 30256237
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
1-(benzenesulfonyl)-N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 46437870
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 31143327
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (CID 42889021) is 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CIVORSBPSGIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3S/c1-13(16-5-2-3-6-17(16)21)22-19(24)18-7-4-12-23(18)27(25,26)15-10-8-14(20)9-11-15/h2-3,5-6,8-11,13,18H,4,7,12H2,1H3,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 471.80 g/mol, XLogP of 4.13, 5 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-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42889021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).