1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H8BrCl2NO3S — CID 168712735

IUPAC1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H8BrCl2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2
InChIKeySKYDWJNCEMFJEU-UHFFFAOYSA-N
MW373.06 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712735) has the molecular formula C10H8BrCl2NO3S and a molecular weight of 373.06 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712735
Molecular FormulaC10H8BrCl2NO3S
Molecular Weight373.06 g/mol
Exact Mass370.88
IUPAC Name1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H8BrCl2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2
InChIKeySKYDWJNCEMFJEU-UHFFFAOYSA-N
XLogP2.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride 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

1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
1-(3-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715941
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237
1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719230
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712530
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(2,6-dibromo-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715899
1-(5-bromo-4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712655
1-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711824

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712735) is 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is SKYDWJNCEMFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO3S/c11-6-1-7(12)3-8(2-6)14-5-9(4-10(14)15)18(13,16)17/h1-3,9H,4-5H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 373.06 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).