N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide

C15H9Cl2F3N2O3S — CID 164877886

IUPACN-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H9Cl2F3N2O3S/c16-8-2-3-11(14-13(8)9(17)6-21-14)22-26(23,24)7-1-4-12(10(18)5-7)25-15(19)20/h1-6,15,21-22H
InChIKeyFYQFHRVKFBLPLH-UHFFFAOYSA-N
MW425.22 g/mol
LogP5.02
Rot. Bonds5

About N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide (PubChem CID 164877886) has the molecular formula C15H9Cl2F3N2O3S and a molecular weight of 425.22 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
PubChem CID164877886
Molecular FormulaC15H9Cl2F3N2O3S
Molecular Weight425.22 g/mol
Exact Mass423.97
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C15H9Cl2F3N2O3S/c16-8-2-3-11(14-13(8)9(17)6-21-14)22-26(23,24)7-1-4-12(10(18)5-7)25-15(19)20/h1-6,15,21-22H
InChIKeyFYQFHRVKFBLPLH-UHFFFAOYSA-N
XLogP5.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.22
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155193283

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide (CID 164877886) is N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide?
The InChIKey is FYQFHRVKFBLPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O3S/c16-8-2-3-11(14-13(8)9(17)6-21-14)22-26(23,24)7-1-4-12(10(18)5-7)25-15(19)20/h1-6,15,21-22H.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide has a molecular weight of 425.22 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 164877886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).