N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C21H18FN3O4S — CID 31855089

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H18FN3O4S/c22-18-6-1-2-7-19(18)25-30(28,29)17-5-3-4-15(13-17)21(27)24-16-10-8-14(9-11-16)12-20(23)26/h1-11,13,25H,12H2,(H2,23,26)(H,24,27)
InChIKeyDEOVODYTSKQLJE-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.91
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 31855089) has the molecular formula C21H18FN3O4S and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID31855089
Molecular FormulaC21H18FN3O4S
Molecular Weight427.46 g/mol
Exact Mass427.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H18FN3O4S/c22-18-6-1-2-7-19(18)25-30(28,29)17-5-3-4-15(13-17)21(27)24-16-10-8-14(9-11-16)12-20(23)26/h1-11,13,25H,12H2,(H2,23,26)(H,24,27)
InChIKeyDEOVODYTSKQLJE-UHFFFAOYSA-N
XLogP2.91
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
3-[(2-fluorophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 55408815
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 2350153
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 31855089) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is NC(=O)Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is DEOVODYTSKQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4S/c22-18-6-1-2-7-19(18)25-30(28,29)17-5-3-4-15(13-17)21(27)24-16-10-8-14(9-11-16)12-20(23)26/h1-11,13,25H,12H2,(H2,23,26)(H,24,27).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 427.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 31855089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).