6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide

C18H14F3N3O2S — CID 69467812

IUPAC6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CCC(C(F)(F)F)C=C1n1ncc2ccc3ccccc3c21
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)13-7-8-16(27(22,25)26)15(9-13)24-17-12(10-23-24)6-5-11-3-1-2-4-14(11)17/h1-6,8-10,13H,7H2,(H2,22,25,26)
InChIKeyIXDHFZIBHVTZFX-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.79
Rot. Bonds2

About 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide

6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 69467812) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide
PubChem CID69467812
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide
SMILESNS(=O)(=O)C1=CCC(C(F)(F)F)C=C1n1ncc2ccc3ccccc3c21
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)13-7-8-16(27(22,25)26)15(9-13)24-17-12(10-23-24)6-5-11-3-1-2-4-14(11)17/h1-6,8-10,13H,7H2,(H2,22,25,26)
InChIKeyIXDHFZIBHVTZFX-UHFFFAOYSA-N
XLogP3.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide (CID 69467812) is 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide is NS(=O)(=O)C1=CCC(C(F)(F)F)C=C1n1ncc2ccc3ccccc3c21.
What is the InChIKey of 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is IXDHFZIBHVTZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)13-7-8-16(27(22,25)26)15(9-13)24-17-12(10-23-24)6-5-11-3-1-2-4-14(11)17/h1-6,8-10,13H,7H2,(H2,22,25,26).
What are the key properties of 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide?
6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 393.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzo[g]indazol-1-yl-4-(trifluoromethyl)cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 69467812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).