N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C22H21FN2O4S — CID 26796078

IUPACN-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-21-5-3-2-4-20(21)25-30(27,28)19-12-8-17(9-13-19)22(26)24-15-14-16-6-10-18(23)11-7-16/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyQKTFUIOWKKYHQG-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 26796078) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID26796078
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O4S/c1-29-21-5-3-2-4-20(21)25-30(27,28)19-12-8-17(9-13-19)22(26)24-15-14-16-6-10-18(23)11-7-16/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyQKTFUIOWKKYHQG-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55501355
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 26796078) is N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is QKTFUIOWKKYHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-29-21-5-3-2-4-20(21)25-30(27,28)19-12-8-17(9-13-19)22(26)24-15-14-16-6-10-18(23)11-7-16/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26796078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).