7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide

C13H9Cl2F3N4O2S — CID 176710954

IUPAC7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)Nc3cnn(C(F)(F)F)c3Cl)c[nH]c2c1Cl
InChIInChI=1S/C13H9Cl2F3N4O2S/c1-6-2-3-7-9(5-19-11(7)10(6)14)25(23,24)21-8-4-20-22(12(8)15)13(16,17)18/h2-5,19,21H,1H3
InChIKeyGFKKOESVOWGISW-UHFFFAOYSA-N
MW413.21 g/mol
LogP4.26
Rot. Bonds3

About 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide

7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide (PubChem CID 176710954) has the molecular formula C13H9Cl2F3N4O2S and a molecular weight of 413.21 g/mol. Its IUPAC name is 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide
PubChem CID176710954
Molecular FormulaC13H9Cl2F3N4O2S
Molecular Weight413.21 g/mol
Exact Mass411.98
IUPAC Name7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide
SMILESCc1ccc2c(S(=O)(=O)Nc3cnn(C(F)(F)F)c3Cl)c[nH]c2c1Cl
InChIInChI=1S/C13H9Cl2F3N4O2S/c1-6-2-3-7-9(5-19-11(7)10(6)14)25(23,24)21-8-4-20-22(12(8)15)13(16,17)18/h2-5,19,21H,1H3
InChIKeyGFKKOESVOWGISW-UHFFFAOYSA-N
XLogP4.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.21
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176711094
6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
CID 163553285
6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135188145
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
CID 135201511
6-chloro-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(5-methylpyrazol-1-yl)-1H-indole-3-sulfonamide
CID 175981651
N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide
CID 175981658
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide (CID 176710954) is 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide is Cc1ccc2c(S(=O)(=O)Nc3cnn(C(F)(F)F)c3Cl)c[nH]c2c1Cl.
What is the InChIKey of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide?
The InChIKey is GFKKOESVOWGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N4O2S/c1-6-2-3-7-9(5-19-11(7)10(6)14)25(23,24)21-8-4-20-22(12(8)15)13(16,17)18/h2-5,19,21H,1H3.
What are the key properties of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide?
7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide has a molecular weight of 413.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).