N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C15H9F5N2O3S — CID 154653153

IUPACN-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F5N2O3S/c16-11-5-10-13(6-12(11)17)21-7-14(10)22-26(23,24)9-3-1-8(2-4-9)25-15(18,19)20/h1-7,21-22H
InChIKeyPXGHNIZXIDKJCK-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.15
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 154653153) has the molecular formula C15H9F5N2O3S and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID154653153
Molecular FormulaC15H9F5N2O3S
Molecular Weight392.31 g/mol
Exact Mass392.03
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F5N2O3S/c16-11-5-10-13(6-12(11)17)21-7-14(10)22-26(23,24)9-3-1-8(2-4-9)25-15(18,19)20/h1-7,21-22H
InChIKeyPXGHNIZXIDKJCK-UHFFFAOYSA-N
XLogP4.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(5,6-difluoro-1H-indol-3-yl)benzenesulfonamide
CID 155009388
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
1-[(5,6-difluoro-1H-indol-3-yl)amino]-2-[4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 166958607
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(5,6-difluoro-1H-indol-3-yl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 154653196
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 154653153) is N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PXGHNIZXIDKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O3S/c16-11-5-10-13(6-12(11)17)21-7-14(10)22-26(23,24)9-3-1-8(2-4-9)25-15(18,19)20/h1-7,21-22H.
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 392.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 154653153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).