N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

C21H18ClFN2O3S — CID 4216298

IUPACN-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F
InChIInChI=1S/C21H18ClFN2O3S/c1-2-25(16-8-4-3-5-9-16)29(27,28)20-14-15(12-13-18(20)23)21(26)24-19-11-7-6-10-17(19)22/h3-14H,2H2,1H3,(H,24,26)
InChIKeyWQEUMLSSABQKGP-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.95
Rot. Bonds6

About N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (PubChem CID 4216298) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
PubChem CID4216298
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F
InChIInChI=1S/C21H18ClFN2O3S/c1-2-25(16-8-4-3-5-9-16)29(27,28)20-14-15(12-13-18(20)23)21(26)24-19-11-7-6-10-17(19)22/h3-14H,2H2,1H3,(H,24,26)
InChIKeyWQEUMLSSABQKGP-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-N-phenyl-5-(piperidine-1-sulfonyl)benzamide
CID 1107106
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2,4-dichloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 5157334
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
3-chloro-N-(4-sulfamoylphenyl)benzamide
CID 2455664
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (CID 4216298) is N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F.
What is the InChIKey of N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The InChIKey is WQEUMLSSABQKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-2-25(16-8-4-3-5-9-16)29(27,28)20-14-15(12-13-18(20)23)21(26)24-19-11-7-6-10-17(19)22/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide has a molecular weight of 432.90 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is sourced from PubChem (CID 4216298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).