(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone

C17H15BrClNO3S — CID 71806028

IUPAC(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15BrClNO3S/c18-13-3-1-2-12(10-13)17(21)20-9-8-16(11-20)24(22,23)15-6-4-14(19)5-7-15/h1-7,10,16H,8-9,11H2
InChIKeyYDVZYODPOQGKRS-UHFFFAOYSA-N
MW428.74 g/mol
LogP3.79
Rot. Bonds3

About (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone

(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone (PubChem CID 71806028) has the molecular formula C17H15BrClNO3S and a molecular weight of 428.74 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
PubChem CID71806028
Molecular FormulaC17H15BrClNO3S
Molecular Weight428.74 g/mol
Exact Mass426.96
IUPAC Name(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15BrClNO3S/c18-13-3-1-2-12(10-13)17(21)20-9-8-16(11-20)24(22,23)15-6-4-14(19)5-7-15/h1-7,10,16H,8-9,11H2
InChIKeyYDVZYODPOQGKRS-UHFFFAOYSA-N
XLogP3.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 90584897
(3-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146495
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696
(2-bromo-5-methoxyphenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 90587636
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 97417199
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 90587716
(3-bromophenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55187606
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone (CID 71806028) is (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The InChIKey is YDVZYODPOQGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3S/c18-13-3-1-2-12(10-13)17(21)20-9-8-16(11-20)24(22,23)15-6-4-14(19)5-7-15/h1-7,10,16H,8-9,11H2.
What are the key properties of (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone?
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone has a molecular weight of 428.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 71806028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).