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

C21H18ClFN2O3S — CID 5169190

IUPACN-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C21H18ClFN2O3S/c1-2-25(18-9-4-3-5-10-18)29(27,28)20-13-15(11-12-19(20)23)21(26)24-17-8-6-7-16(22)14-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyIRCBCZWNDSWXMQ-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.95
Rot. Bonds6

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

N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (PubChem CID 5169190) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
PubChem CID5169190
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C21H18ClFN2O3S/c1-2-25(18-9-4-3-5-10-18)29(27,28)20-13-15(11-12-19(20)23)21(26)24-17-8-6-7-16(22)14-17/h3-14H,2H2,1H3,(H,24,26)
InChIKeyIRCBCZWNDSWXMQ-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

3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
CID 24687613
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
N-(2,5-difluorophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2711419
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (CID 5169190) is N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F.
What is the InChIKey of N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The InChIKey is IRCBCZWNDSWXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-2-25(18-9-4-3-5-10-18)29(27,28)20-13-15(11-12-19(20)23)21(26)24-17-8-6-7-16(22)14-17/h3-14H,2H2,1H3,(H,24,26).
What are the key properties of N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
N-(3-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-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is sourced from PubChem (CID 5169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).