N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide

C17H17F3N2O3S — CID 10810174

IUPACN-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1N
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)26(24,25)22-15-9-12(6-7-14(15)21)16(23)11-4-3-5-13(8-11)17(18,19)20/h3-10,22H,21H2,1-2H3
InChIKeyMQBOCZIZXSOOBF-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.67
Rot. Bonds5

About N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide

N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide (PubChem CID 10810174) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide
PubChem CID10810174
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1N
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)26(24,25)22-15-9-12(6-7-14(15)21)16(23)11-4-3-5-13(8-11)17(18,19)20/h3-10,22H,21H2,1-2H3
InChIKeyMQBOCZIZXSOOBF-UHFFFAOYSA-N
XLogP3.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 112556194
2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 141033390
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970207
N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
N-(1-methylsulfonylpropan-2-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71994715
(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 142830561

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide (CID 10810174) is N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1N.
What is the InChIKey of N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide?
The InChIKey is MQBOCZIZXSOOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-10(2)26(24,25)22-15-9-12(6-7-14(15)21)16(23)11-4-3-5-13(8-11)17(18,19)20/h3-10,22H,21H2,1-2H3.
What are the key properties of N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide?
N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide has a molecular weight of 386.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[3-(trifluoromethyl)benzoyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 10810174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).