3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide

C10H11F3N2O3S — CID 43246591

IUPAC3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
SMILESCc1cc(NC(=O)CC(F)(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11F3N2O3S/c1-6-4-7(2-3-8(6)19(14,17)18)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFACIUANTGHTDFM-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.53
Rot. Bonds3

About 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide

3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide (PubChem CID 43246591) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
PubChem CID43246591
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
SMILESCc1cc(NC(=O)CC(F)(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11F3N2O3S/c1-6-4-7(2-3-8(6)19(14,17)18)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyFACIUANTGHTDFM-UHFFFAOYSA-N
XLogP1.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
2,2-dimethyl-N-(3-methyl-4-sulfamoylphenyl)butanamide
CID 62677678
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
(3S)-N-(3,4-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9070227
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
CID 75426435
2-bromo-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43134004

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide (CID 43246591) is 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide is Cc1cc(NC(=O)CC(F)(F)F)ccc1S(N)(=O)=O.
What is the InChIKey of 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide?
The InChIKey is FACIUANTGHTDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-6-4-7(2-3-8(6)19(14,17)18)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide?
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide has a molecular weight of 296.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 43246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).