N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

C17H15FN2O3S — CID 33314755

IUPACN-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-3-10-19-24(22,23)15-8-5-13(6-9-15)17(21)20-14-7-4-12(2)16(18)11-14/h1,4-9,11,19H,10H2,2H3,(H,20,21)
InChIKeyXYNNJGCVYIHASB-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.30
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33314755) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33314755
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FN2O3S/c1-3-10-19-24(22,23)15-8-5-13(6-9-15)17(21)20-14-7-4-12(2)16(18)11-14/h1,4-9,11,19H,10H2,2H3,(H,20,21)
InChIKeyXYNNJGCVYIHASB-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060210
N-(4-bromo-2-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46678558
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
CID 55948629
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 33314755) is N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is XYNNJGCVYIHASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-3-10-19-24(22,23)15-8-5-13(6-9-15)17(21)20-14-7-4-12(2)16(18)11-14/h1,4-9,11,19H,10H2,2H3,(H,20,21).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33314755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).