5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide

C15H18FN3O3S — CID 75376134

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc[nH]2)c1
InChIInChI=1S/C15H18FN3O3S/c1-3-18-23(21,22)12-6-7-14(16)13(9-12)15(20)19(2)10-11-5-4-8-17-11/h4-9,17-18H,3,10H2,1-2H3
InChIKeyFVFJSORPNIJONO-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.72
Rot. Bonds6

About 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide

5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 75376134) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID75376134
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc[nH]2)c1
InChIInChI=1S/C15H18FN3O3S/c1-3-18-23(21,22)12-6-7-14(16)13(9-12)15(20)19(2)10-11-5-4-8-17-11/h4-9,17-18H,3,10H2,1-2H3
InChIKeyFVFJSORPNIJONO-UHFFFAOYSA-N
XLogP1.72
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 60542557
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 75376134) is 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc[nH]2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is FVFJSORPNIJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-3-18-23(21,22)12-6-7-14(16)13(9-12)15(20)19(2)10-11-5-4-8-17-11/h4-9,17-18H,3,10H2,1-2H3.
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide?
5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide has a molecular weight of 339.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 75376134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).