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

C12H7Cl2F3N4O2S — CID 176711094

IUPAC7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cnn(C(F)(F)F)c1Cl)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H7Cl2F3N4O2S/c13-7-3-1-2-6-9(5-18-10(6)7)24(22,23)20-8-4-19-21(11(8)14)12(15,16)17/h1-5,18,20H
InChIKeyWNJPLTUTQNPEMU-UHFFFAOYSA-N
MW399.18 g/mol
LogP3.95
Rot. Bonds3

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

7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide (PubChem CID 176711094) has the molecular formula C12H7Cl2F3N4O2S and a molecular weight of 399.18 g/mol. Its IUPAC name is 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
PubChem CID176711094
Molecular FormulaC12H7Cl2F3N4O2S
Molecular Weight399.18 g/mol
Exact Mass397.96
IUPAC Name7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cnn(C(F)(F)F)c1Cl)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C12H7Cl2F3N4O2S/c13-7-3-1-2-6-9(5-18-10(6)7)24(22,23)20-8-4-19-21(11(8)14)12(15,16)17/h1-5,18,20H
InChIKeyWNJPLTUTQNPEMU-UHFFFAOYSA-N
XLogP3.95
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.18
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide
CID 176710954
N-(3-chloro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664660
N-(3-chloro-1H-indol-7-yl)-1,2-thiazole-4-sulfonamide
CID 171055487
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
4-aminosulfanyl-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 147916945
4-amino-N-(3-chloro-1H-indol-7-yl)benzenesulfonamide
CID 10268048
N-(3-chloro-1H-indol-7-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 22228579
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide (CID 176711094) is 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide is O=S(=O)(Nc1cnn(C(F)(F)F)c1Cl)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
The InChIKey is WNJPLTUTQNPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N4O2S/c13-7-3-1-2-6-9(5-18-10(6)7)24(22,23)20-8-4-19-21(11(8)14)12(15,16)17/h1-5,18,20H.
What are the key properties of 7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide?
7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide has a molecular weight of 399.18 g/mol, XLogP of 3.95, 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]-1H-indole-3-sulfonamide is sourced from PubChem (CID 176711094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).