1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide

C18H15BrClN3O3S — CID 43041852

IUPAC1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C18H15BrClN3O3S/c19-13-4-7-15(8-5-13)27(25,26)23-9-1-2-17(23)18(24)22-14-6-3-12(11-21)16(20)10-14/h3-8,10,17H,1-2,9H2,(H,22,24)
InChIKeyZONIUIGDIBVVIO-UHFFFAOYSA-N
MW468.76 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide (PubChem CID 43041852) has the molecular formula C18H15BrClN3O3S and a molecular weight of 468.76 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
PubChem CID43041852
Molecular FormulaC18H15BrClN3O3S
Molecular Weight468.76 g/mol
Exact Mass466.97
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C18H15BrClN3O3S/c19-13-4-7-15(8-5-13)27(25,26)23-9-1-2-17(23)18(24)22-14-6-3-12(11-21)16(20)10-14/h3-8,10,17H,1-2,9H2,(H,22,24)
InChIKeyZONIUIGDIBVVIO-UHFFFAOYSA-N
XLogP3.77
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2R)-1-(3-chloro-4-cyanophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862708
1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 42935536
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
1-(3-cyanophenyl)sulfonyl-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 42956538
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide (CID 43041852) is 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide is N#Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZONIUIGDIBVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O3S/c19-13-4-7-15(8-5-13)27(25,26)23-9-1-2-17(23)18(24)22-14-6-3-12(11-21)16(20)10-14/h3-8,10,17H,1-2,9H2,(H,22,24).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide has a molecular weight of 468.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43041852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).