2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide

C15H15F3N4O3S — CID 146093858

IUPAC2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
SMILESCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H15F3N4O3S/c1-21-12-5-3-9(26(20,24)25)7-13(12)22-14(23)10-4-2-8(6-11(10)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMHAUAADENMYXRK-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.23
Rot. Bonds4

About 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide

2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 146093858) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
PubChem CID146093858
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
SMILESCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C15H15F3N4O3S/c1-21-12-5-3-9(26(20,24)25)7-13(12)22-14(23)10-4-2-8(6-11(10)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyMHAUAADENMYXRK-UHFFFAOYSA-N
XLogP2.23
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 90317246
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
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N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide
CID 118035480
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
N-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]-2-methoxy-5-sulfamoylbenzamide
CID 87097833
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide (CID 146093858) is 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide is CNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MHAUAADENMYXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c1-21-12-5-3-9(26(20,24)25)7-13(12)22-14(23)10-4-2-8(6-11(10)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide?
2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 388.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 146093858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).