1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H11BrClNO4S — CID 43084223

IUPAC1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO4S/c12-7-3-4-10(8(13)6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyFKRZKWSDFCBHEH-UHFFFAOYSA-N
MW368.64 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43084223) has the molecular formula C11H11BrClNO4S and a molecular weight of 368.64 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43084223
Molecular FormulaC11H11BrClNO4S
Molecular Weight368.64 g/mol
Exact Mass366.93
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO4S/c12-7-3-4-10(8(13)6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyFKRZKWSDFCBHEH-UHFFFAOYSA-N
XLogP2.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 60700592
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 47017134
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154
(2S)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 91440757
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
(2S)-1-[2,4-dichloro-3-(chloromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 70196519

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 43084223) is 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is FKRZKWSDFCBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO4S/c12-7-3-4-10(8(13)6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 368.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).