2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C21H15ClFN3O3S — CID 2084463

IUPAC2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H15ClFN3O3S/c1-26(17-7-5-15(23)6-8-17)30(28,29)18-9-10-20(22)19(12-18)21(27)25-16-4-2-3-14(11-16)13-24/h2-12H,1H3,(H,25,27)
InChIKeyDJZQBWZHHXHARC-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.43
Rot. Bonds5

About 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 2084463) has the molecular formula C21H15ClFN3O3S and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID2084463
Molecular FormulaC21H15ClFN3O3S
Molecular Weight443.89 g/mol
Exact Mass443.05
IUPAC Name2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H15ClFN3O3S/c1-26(17-7-5-15(23)6-8-17)30(28,29)18-9-10-20(22)19(12-18)21(27)25-16-4-2-3-14(11-16)13-24/h2-12H,1H3,(H,25,27)
InChIKeyDJZQBWZHHXHARC-UHFFFAOYSA-N
XLogP4.43
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2,4-dichloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 132191196
N-[4-(benzenesulfonamido)phenyl]-2-chlorobenzamide
CID 2311681
2-chloro-N-(2-methylphenyl)-5-(phenylsulfonyl)benzamide
CID 992292
2-chloro-4,5-difluoro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
CID 1253291
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
N-(3-chlorophenyl)-3-(methylsulfamoyl)benzamide
CID 2453174
2-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4,5-difluorobenzamide
CID 2672941
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 3665777
N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 4129261
N-(2-chlorophenyl)-3-{[ethyl(phenyl)amino]sulfonyl}-4-fluorobenzamide
CID 4216298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 2084463) is 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is DJZQBWZHHXHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3S/c1-26(17-7-5-15(23)6-8-17)30(28,29)18-9-10-20(22)19(12-18)21(27)25-16-4-2-3-14(11-16)13-24/h2-12H,1H3,(H,25,27).
What are the key properties of 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 443.89 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2084463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).