4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide

C16H17FN2O3S — CID 100785367

IUPAC4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-3-23(21,22)18-14-8-4-12(5-9-14)16(20)19(2)15-10-6-13(17)7-11-15/h4-11,18H,3H2,1-2H3
InChIKeyOULGGBJZUKDJLW-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.86
Rot. Bonds5

About 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide

4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 100785367) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID100785367
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O3S/c1-3-23(21,22)18-14-8-4-12(5-9-14)16(20)19(2)15-10-6-13(17)7-11-15/h4-11,18H,3H2,1-2H3
InChIKeyOULGGBJZUKDJLW-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 100785370
N-(4-carbamothioylphenyl)-4-fluoro-N-methylbenzamide
CID 62971873
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-[4-(2-ethylbutanoyl)phenyl]ethanesulfonamide
CID 43161166
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide (CID 100785367) is 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide is CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is OULGGBJZUKDJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-3-23(21,22)18-14-8-4-12(5-9-14)16(20)19(2)15-10-6-13(17)7-11-15/h4-11,18H,3H2,1-2H3.
What are the key properties of 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide?
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 100785367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).