5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C18H21FN2O4S — CID 55913537

IUPAC5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-20-26(23,24)15-9-10-17(19)16(11-15)18(22)21(2)12-13-5-7-14(25-3)8-6-13/h5-11,20H,4,12H2,1-3H3
InChIKeyWBDPOTVPXUSWKA-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.40
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 55913537) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID55913537
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-20-26(23,24)15-9-10-17(19)16(11-15)18(22)21(2)12-13-5-7-14(25-3)8-6-13/h5-11,20H,4,12H2,1-3H3
InChIKeyWBDPOTVPXUSWKA-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 75376134
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 60542557
N-(2-butoxy-5-methoxyphenyl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55932340

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 55913537) is 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccc(OC)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is WBDPOTVPXUSWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-20-26(23,24)15-9-10-17(19)16(11-15)18(22)21(2)12-13-5-7-14(25-3)8-6-13/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 380.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55913537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).