3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

C19H15Cl2FN2O4S2 — CID 175722864

IUPAC3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)ccc1F
InChIInChI=1S/C19H15Cl2FN2O4S2/c1-12-8-16(4-7-19(12)22)24-29(25,26)17-5-2-15(3-6-17)23-30(27,28)18-10-13(20)9-14(21)11-18/h2-11,23-24H,1H3
InChIKeyWYVIRLUICBWFHI-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.04
Rot. Bonds6

About 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 175722864) has the molecular formula C19H15Cl2FN2O4S2 and a molecular weight of 489.38 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID175722864
Molecular FormulaC19H15Cl2FN2O4S2
Molecular Weight489.38 g/mol
Exact Mass487.98
IUPAC Name3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)ccc1F
InChIInChI=1S/C19H15Cl2FN2O4S2/c1-12-8-16(4-7-19(12)22)24-29(25,26)17-5-2-15(3-6-17)23-30(27,28)18-10-13(20)9-14(21)11-18/h2-11,23-24H,1H3
InChIKeyWYVIRLUICBWFHI-UHFFFAOYSA-N
XLogP5.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 62812698
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722774
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 175722864) is 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)ccc1F.
What is the InChIKey of 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is WYVIRLUICBWFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O4S2/c1-12-8-16(4-7-19(12)22)24-29(25,26)17-5-2-15(3-6-17)23-30(27,28)18-10-13(20)9-14(21)11-18/h2-11,23-24H,1H3.
What are the key properties of 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 489.38 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175722864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).