5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide

C21H19FN2O4S — CID 3360601

IUPAC5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C21H19FN2O4S/c1-28-20-10-6-5-9-19(20)24-21(25)17-13-16(11-12-18(17)22)29(26,27)23-14-15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyGTXPBZGDEOITOC-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.57
Rot. Bonds7

About 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide

5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide (PubChem CID 3360601) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
PubChem CID3360601
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C21H19FN2O4S/c1-28-20-10-6-5-9-19(20)24-21(25)17-13-16(11-12-18(17)22)29(26,27)23-14-15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyGTXPBZGDEOITOC-UHFFFAOYSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-(3-(4-fluorophenylsulfonamido)-4-methoxyphenyl)-[1,1'-biphenyl]-4-carboxamide
CID 5020799
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
Sulfonamide-01
CID 11532283
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(3,5-dimethoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2116569

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide (CID 3360601) is 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
The InChIKey is GTXPBZGDEOITOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-28-20-10-6-5-9-19(20)24-21(25)17-13-16(11-12-18(17)22)29(26,27)23-14-15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide?
5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 3360601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).