5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

C14H14ClFN2O4S2 — CID 8519734

IUPAC5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1C
InChIInChI=1S/C14H14ClFN2O4S2/c1-9-3-4-10(7-14(9)24(21,22)17-2)18-23(19,20)11-5-6-13(16)12(15)8-11/h3-8,17-18H,1-2H3
InChIKeyPOYSFVWMYOMDQR-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.50
Rot. Bonds5

About 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide

5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 8519734) has the molecular formula C14H14ClFN2O4S2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID8519734
Molecular FormulaC14H14ClFN2O4S2
Molecular Weight392.86 g/mol
Exact Mass392.01
IUPAC Name5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1C
InChIInChI=1S/C14H14ClFN2O4S2/c1-9-3-4-10(7-14(9)24(21,22)17-2)18-23(19,20)11-5-6-13(16)12(15)8-11/h3-8,17-18H,1-2H3
InChIKeyPOYSFVWMYOMDQR-UHFFFAOYSA-N
XLogP2.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide 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-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
5-[(2,5-dichlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 4353515
2,6-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzenesulfonamide
CID 4875852
3-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 84482101
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
3,5-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 8190740
2-[[(E)-1-(4-Chlorophenyl)prop-1-en-2-yl]sulfonylamino]-4-fluoro-benzenesulfonamide
CID 42645536
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42645537
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42645538
N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 295160
2,3-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzenesulfonamide
CID 3396443
5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 4022271

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide (CID 8519734) is 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1C.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is POYSFVWMYOMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O4S2/c1-9-3-4-10(7-14(9)24(21,22)17-2)18-23(19,20)11-5-6-13(16)12(15)8-11/h3-8,17-18H,1-2H3.
What are the key properties of 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide?
5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 8519734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).