4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide

C14H12F3N3O3S — CID 146301466

IUPAC4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H12F3N3O3S/c1-19-11-3-2-7(4-12(11)24(18,22)23)14(21)20-8-5-9(15)13(17)10(16)6-8/h2-6,19H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyLKQRCZYRSLGHKN-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.05
Rot. Bonds4

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

4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 146301466) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID146301466
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H12F3N3O3S/c1-19-11-3-2-7(4-12(11)24(18,22)23)14(21)20-8-5-9(15)13(17)10(16)6-8/h2-6,19H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyLKQRCZYRSLGHKN-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide (CID 146301466) is 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide is CNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O.
What is the InChIKey of 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is LKQRCZYRSLGHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-19-11-3-2-7(4-12(11)24(18,22)23)14(21)20-8-5-9(15)13(17)10(16)6-8/h2-6,19H,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide?
4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 359.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 146301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).