N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide

C19H14BrCl2FN2O4S2 — CID 175722774

IUPACN-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
SMILESCc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H14BrCl2FN2O4S2/c1-11-18(20)9-14(23)10-19(11)25-30(26,27)16-4-2-15(3-5-16)24-31(28,29)17-7-12(21)6-13(22)8-17/h2-10,24-25H,1H3
InChIKeyQITGGGQPIVPFBZ-UHFFFAOYSA-N
MW568.27 g/mol
LogP5.81
Rot. Bonds6

About N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide

N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide (PubChem CID 175722774) has the molecular formula C19H14BrCl2FN2O4S2 and a molecular weight of 568.27 g/mol. Its IUPAC name is N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
PubChem CID175722774
Molecular FormulaC19H14BrCl2FN2O4S2
Molecular Weight568.27 g/mol
Exact Mass565.89
IUPAC NameN-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
SMILESCc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H14BrCl2FN2O4S2/c1-11-18(20)9-14(23)10-19(11)25-30(26,27)16-4-2-15(3-5-16)24-31(28,29)17-7-12(21)6-13(22)8-17/h2-10,24-25H,1H3
InChIKeyQITGGGQPIVPFBZ-UHFFFAOYSA-N
XLogP5.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.27
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722887
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide (CID 175722774) is N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide is Cc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide?
The InChIKey is QITGGGQPIVPFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2FN2O4S2/c1-11-18(20)9-14(23)10-19(11)25-30(26,27)16-4-2-15(3-5-16)24-31(28,29)17-7-12(21)6-13(22)8-17/h2-10,24-25H,1H3.
What are the key properties of N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide?
N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide has a molecular weight of 568.27 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-5-fluoro-2-methylphenyl)sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 175722774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).