N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide

C18H20F2N2O3S — CID 55861005

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-21-26(24,25)14-9-7-13(8-10-14)18(23)22-12(2)11-15-16(19)5-4-6-17(15)20/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyPXBNZADWBLUTCC-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.62
Rot. Bonds7

About N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide (PubChem CID 55861005) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
PubChem CID55861005
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-3-21-26(24,25)14-9-7-13(8-10-14)18(23)22-12(2)11-15-16(19)5-4-6-17(15)20/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyPXBNZADWBLUTCC-UHFFFAOYSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
4-(ethylsulfamoyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 86830095
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
(2R)-2-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119364417
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 25478911
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
CID 55485773
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55877687
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
4-(ethylsulfamoyl)-N-(1-thiophen-2-ylpropyl)benzamide
CID 55954354

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide (CID 55861005) is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC(C)Cc2c(F)cccc2F)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is PXBNZADWBLUTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-21-26(24,25)14-9-7-13(8-10-14)18(23)22-12(2)11-15-16(19)5-4-6-17(15)20/h4-10,12,21H,3,11H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 55861005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).