4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide

C11H15ClN2O4S2 — CID 43745911

IUPAC4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C11H15ClN2O4S2/c12-10-2-1-9(20(13,17)18)7-11(10)14-8-3-5-19(15,16)6-4-8/h1-2,7-8,14H,3-6H2,(H2,13,17,18)
InChIKeyRWOYAHJDNMHUPA-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.98
Rot. Bonds3

About 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide

4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide (PubChem CID 43745911) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
PubChem CID43745911
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C11H15ClN2O4S2/c12-10-2-1-9(20(13,17)18)7-11(10)14-8-3-5-19(15,16)6-4-8/h1-2,7-8,14H,3-6H2,(H2,13,17,18)
InChIKeyRWOYAHJDNMHUPA-UHFFFAOYSA-N
XLogP0.98
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide 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

3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 4846224
2-Chloro-5-(piperidine-1-sulfonyl)aniline
CID 3803430
N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 4749657
4-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzenesulfonamide
CID 1403933
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propanamide
CID 72111533
3-{[(4-Chlorophenyl)sulfonyl]phenylamino}thiolane-1,1-dione
CID 5008367
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 3897172
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 4819055
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 16293051
N-(2-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide (CID 43745911) is 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide?
The InChIKey is RWOYAHJDNMHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c12-10-2-1-9(20(13,17)18)7-11(10)14-8-3-5-19(15,16)6-4-8/h1-2,7-8,14H,3-6H2,(H2,13,17,18).
What are the key properties of 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide?
4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide has a molecular weight of 338.84 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1,1-dioxothian-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 43745911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).