2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide

C17H18ClFN2O3S — CID 9415986

IUPAC2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)25(23,24)14-8-6-13(7-9-14)20-17(22)15-10-5-12(19)11-16(15)18/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyUHMCVYBETLFLNP-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.76
Rot. Bonds6

About 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide

2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide (PubChem CID 9415986) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
PubChem CID9415986
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)25(23,24)14-8-6-13(7-9-14)20-17(22)15-10-5-12(19)11-16(15)18/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyUHMCVYBETLFLNP-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
CID 31288662
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55600497
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-[(2-chloro-4-fluorobenzoyl)amino]-N-(4-ethylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 55870829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide (CID 9415986) is 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is UHMCVYBETLFLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-21(4-2)25(23,24)14-8-6-13(7-9-14)20-17(22)15-10-5-12(19)11-16(15)18/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide?
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide has a molecular weight of 384.86 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 9415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).