5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

C19H21FN4O3S — CID 55913591

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H21FN4O3S/c1-3-22-28(26,27)14-8-9-16(20)15(12-14)19(25)21-10-11-24-13(2)23-17-6-4-5-7-18(17)24/h4-9,12,22H,3,10-11H2,1-2H3,(H,21,25)
InChIKeyBILQOJGQARZKND-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.21
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide

5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 55913591) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID55913591
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H21FN4O3S/c1-3-22-28(26,27)14-8-9-16(20)15(12-14)19(25)21-10-11-24-13(2)23-17-6-4-5-7-18(17)24/h4-9,12,22H,3,10-11H2,1-2H3,(H,21,25)
InChIKeyBILQOJGQARZKND-UHFFFAOYSA-N
XLogP2.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 35800173
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
5-(diethylsulfamoyl)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 26444084
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 26443914
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
5-acetamido-2-(methanesulfonamido)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 56516205
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 37263896
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 55913591) is 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is BILQOJGQARZKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-3-22-28(26,27)14-8-9-16(20)15(12-14)19(25)21-10-11-24-13(2)23-17-6-4-5-7-18(17)24/h4-9,12,22H,3,10-11H2,1-2H3,(H,21,25).
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 55913591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).