4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide

C14H12F3N3O3S — CID 146301425

IUPAC4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H12F3N3O3S/c1-6-2-7(3-11(13(6)18)24(19,22)23)14(21)20-8-4-9(15)12(17)10(16)5-8/h2-5H,18H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyFBAHYCVZGMFKFO-UHFFFAOYSA-N
MW359.33 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide

4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 146301425) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID146301425
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H12F3N3O3S/c1-6-2-7(3-11(13(6)18)24(19,22)23)14(21)20-8-4-9(15)12(17)10(16)5-8/h2-5H,18H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyFBAHYCVZGMFKFO-UHFFFAOYSA-N
XLogP1.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide (CID 146301425) is 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide is Cc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(S(N)(=O)=O)c1N.
What is the InChIKey of 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is FBAHYCVZGMFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-6-2-7(3-11(13(6)18)24(19,22)23)14(21)20-8-4-9(15)12(17)10(16)5-8/h2-5H,18H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 359.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 146301425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).