3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide

C19H21FN2O3S — CID 90075245

IUPAC3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCCC1(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C)c3)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-3-19(9-10-19)22-26(24,25)16-6-4-5-14(12-16)18(23)21-15-7-8-17(20)13(2)11-15/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,21,23)
InChIKeyLIPVFYKMXSPWGG-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.61
Rot. Bonds6

About 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide

3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 90075245) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID90075245
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCCC1(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C)c3)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-3-19(9-10-19)22-26(24,25)16-6-4-5-14(12-16)18(23)21-15-7-8-17(20)13(2)11-15/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,21,23)
InChIKeyLIPVFYKMXSPWGG-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]benzamide
CID 90075233
N-(4-fluoro-3-methylphenyl)-3-[(4-hydroxy-2-methylpentan-2-yl)sulfamoyl]benzamide
CID 118642025
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(4-fluoro-3-methylphenyl)-3-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 90044723
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-4-ylethylsulfamoyl)benzamide
CID 90075337
N-(4-fluoro-3-methylphenyl)-3-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]sulfamoyl]benzamide
CID 118396967
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-(4-fluoro-3-methylphenyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)benzamide
CID 90075165
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(4-fluoro-3-methylphenyl)-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzamide
CID 90075200
N-(4-fluoro-3-methylphenyl)-3-[2-methyl-3-(methylamino)propyl]sulfonylbenzamide
CID 149027225
N-(4-fluoro-3-methylphenyl)-3-[(3-hydroxycyclopentyl)methylsulfonyl]benzamide
CID 159659770

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide (CID 90075245) is 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide is CCC1(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(C)c3)c2)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is LIPVFYKMXSPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-3-19(9-10-19)22-26(24,25)16-6-4-5-14(12-16)18(23)21-15-7-8-17(20)13(2)11-15/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,21,23).
What are the key properties of 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide?
3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 90075245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).