N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide

C16H11F3N2O3S — CID 177440182

IUPACN-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c[nH]c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)11-4-6-12(7-5-11)25(23,24)21-14-3-1-2-13-15(14)10(9-22)8-20-13/h1-9,20-21H
InChIKeyZGGRLKBBXYROFM-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.80
Rot. Bonds4

About N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 177440182) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID177440182
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC NameN-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=Cc1c[nH]c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)11-4-6-12(7-5-11)25(23,24)21-14-3-1-2-13-15(14)10(9-22)8-20-13/h1-9,20-21H
InChIKeyZGGRLKBBXYROFM-UHFFFAOYSA-N
XLogP3.80
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 46918837
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 155009376
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
CID 118807088
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885

Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 177440182) is N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide is O=Cc1c[nH]c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZGGRLKBBXYROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)11-4-6-12(7-5-11)25(23,24)21-14-3-1-2-13-15(14)10(9-22)8-20-13/h1-9,20-21H.
What are the key properties of N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-1H-indol-4-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 177440182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).