4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide

C15H14F3N3O4S — CID 146301245

IUPAC4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NCCO
InChIInChI=1S/C15H14F3N3O4S/c16-10-6-9(7-11(17)14(10)18)21-15(23)8-1-2-12(19)13(5-8)26(24,25)20-3-4-22/h1-2,5-7,20,22H,3-4,19H2,(H,21,23)
InChIKeyAGSCUAYQPVAQFF-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.21
Rot. Bonds6

About 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide

4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 146301245) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID146301245
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Name4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NCCO
InChIInChI=1S/C15H14F3N3O4S/c16-10-6-9(7-11(17)14(10)18)21-15(23)8-1-2-12(19)13(5-8)26(24,25)20-3-4-22/h1-2,5-7,20,22H,3-4,19H2,(H,21,23)
InChIKeyAGSCUAYQPVAQFF-UHFFFAOYSA-N
XLogP1.21
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-diethoxybutylsulfamoyl)-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146301460
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
4-chloro-3-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130397394
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
3-[(2S)-2-(aminomethyl)azetidin-1-yl]sulfonyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146302503
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
4-fluoro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 118404422
4-chloro-3-[[4-(hydroxymethyl)-1-methylcyclohexyl]methylsulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 166671916
4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
CID 121364144

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide (CID 146301245) is 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide is Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NCCO.
What is the InChIKey of 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is AGSCUAYQPVAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c16-10-6-9(7-11(17)14(10)18)21-15(23)8-1-2-12(19)13(5-8)26(24,25)20-3-4-22/h1-2,5-7,20,22H,3-4,19H2,(H,21,23).
What are the key properties of 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide?
4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 389.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethylsulfamoyl)-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 146301245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).