N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

C18H20ClFN2O3S — CID 26409898

IUPACN-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C18H20ClFN2O3S/c1-4-22(5-2)26(24,25)17-10-13(7-6-12(17)3)18(23)21-16-9-8-14(19)11-15(16)20/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyBMNXYFSZOHNWEP-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.07
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 26409898) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID26409898
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C18H20ClFN2O3S/c1-4-22(5-2)26(24,25)17-10-13(7-6-12(17)3)18(23)21-16-9-8-14(19)11-15(16)20/h6-11H,4-5H2,1-3H3,(H,21,23)
InChIKeyBMNXYFSZOHNWEP-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
3-(diethylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 26290598
3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 34272039
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (CID 26409898) is N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is BMNXYFSZOHNWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-4-22(5-2)26(24,25)17-10-13(7-6-12(17)3)18(23)21-16-9-8-14(19)11-15(16)20/h6-11H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 26409898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).