2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide

C16H11F3N2O4S — CID 129218291

IUPAC2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)10-3-1-9(2-4-10)8-21-13-6-5-11(26(20,24)25)7-12(13)14(22)15(21)23/h1-7H,8H2,(H2,20,24,25)
InChIKeyAORLMFHIOLHBMN-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.08
Rot. Bonds3

About 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide

2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide (PubChem CID 129218291) has the molecular formula C16H11F3N2O4S and a molecular weight of 384.34 g/mol. Its IUPAC name is 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide
PubChem CID129218291
Molecular FormulaC16H11F3N2O4S
Molecular Weight384.34 g/mol
Exact Mass384.04
IUPAC Name2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)10-3-1-9(2-4-10)8-21-13-6-5-11(26(20,24)25)7-12(13)14(22)15(21)23/h1-7H,8H2,(H2,20,24,25)
InChIKeyAORLMFHIOLHBMN-UHFFFAOYSA-N
XLogP2.08
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide (CID 129218291) is 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide?
The InChIKey is AORLMFHIOLHBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4S/c17-16(18,19)10-3-1-9(2-4-10)8-21-13-6-5-11(26(20,24)25)7-12(13)14(22)15(21)23/h1-7H,8H2,(H2,20,24,25).
What are the key properties of 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide?
2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide has a molecular weight of 384.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-sulfonamide is sourced from PubChem (CID 129218291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).