(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

C19H20BrClN2O3S — CID 30256224

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O3S/c1-13(14-4-2-5-16(21)12-14)22-19(24)18-6-3-11-23(18)27(25,26)17-9-7-15(20)8-10-17/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3,(H,22,24)/t13-,18+/m1/s1
InChIKeyMWEKKYWNANISQO-ACJLOTCBSA-N
MW471.80 g/mol
LogP4.13
Rot. Bonds5

About (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 30256224) has the molecular formula C19H20BrClN2O3S and a molecular weight of 471.80 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID30256224
Molecular FormulaC19H20BrClN2O3S
Molecular Weight471.80 g/mol
Exact Mass470.01
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O3S/c1-13(14-4-2-5-16(21)12-14)22-19(24)18-6-3-11-23(18)27(25,26)17-9-7-15(20)8-10-17/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3,(H,22,24)/t13-,18+/m1/s1
InChIKeyMWEKKYWNANISQO-ACJLOTCBSA-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

Analyze (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 30256237
1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 42889021
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 31143327
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
(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
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide (CID 30256224) is (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MWEKKYWNANISQO-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H20BrClN2O3S/c1-13(14-4-2-5-16(21)12-14)22-19(24)18-6-3-11-23(18)27(25,26)17-9-7-15(20)8-10-17/h2,4-5,7-10,12-13,18H,3,6,11H2,1H3,(H,22,24)/t13-,18+/m1/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-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 (2S)-1-(4-bromophenyl)sulfonyl-N-[(1R)-1-(3-chlorophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 30256224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).