N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C19H17FN2O3S2 — CID 9427533

IUPACN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1F
InChIInChI=1S/C19H17FN2O3S2/c1-13-7-8-15(11-18(13)20)22-19(23)14-4-2-6-17(10-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyRCJFBHMGLDGXRU-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.93
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 9427533) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID9427533
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1F
InChIInChI=1S/C19H17FN2O3S2/c1-13-7-8-15(11-18(13)20)22-19(23)14-4-2-6-17(10-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyRCJFBHMGLDGXRU-UHFFFAOYSA-N
XLogP3.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 47092673
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38407060
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 9427533) is N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is RCJFBHMGLDGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c1-13-7-8-15(11-18(13)20)22-19(23)14-4-2-6-17(10-14)27(24,25)21-12-16-5-3-9-26-16/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 9427533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).