4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

C11H14BrNO4S2 — CID 47113368

IUPAC4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyFGKWYCQMXHNDSU-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.26
Rot. Bonds3

About 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (PubChem CID 47113368) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
PubChem CID47113368
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyFGKWYCQMXHNDSU-UHFFFAOYSA-N
XLogP1.26
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide 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

4-bromo-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 52541834
4-(bromomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 65481783
4-acetyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 3738114
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-butyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 110757494
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
2-amino-5-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 60988461
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylbenzenesulfonamide
CID 55913299
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
3-chloro-N-(1,1-dioxothiolan-3-yl)-N,4-dimethylbenzenesulfonamide
CID 47190072
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 1251787

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (CID 47113368) is 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The InChIKey is FGKWYCQMXHNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide has a molecular weight of 368.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 47113368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).