5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide

C16H16F2N2O3S — CID 46406560

IUPAC5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)cc1C(N)=O
InChIInChI=1S/C16H16F2N2O3S/c1-9-3-5-12(8-13(9)16(19)21)24(22,23)20-10(2)11-4-6-14(17)15(18)7-11/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyQEKXSSXHINNNFF-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.41
Rot. Bonds5

About 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide

5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide (PubChem CID 46406560) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
PubChem CID46406560
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)cc1C(N)=O
InChIInChI=1S/C16H16F2N2O3S/c1-9-3-5-12(8-13(9)16(19)21)24(22,23)20-10(2)11-4-6-14(17)15(18)7-11/h3-8,10,20H,1-2H3,(H2,19,21)
InChIKeyQEKXSSXHINNNFF-UHFFFAOYSA-N
XLogP2.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43003466
N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
methyl 5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-2-methylbenzoate
CID 133265218
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
methyl 5-[[(1S)-1-(4-ethylphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100500705
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide (CID 46406560) is 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)cc1C(N)=O.
What is the InChIKey of 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide?
The InChIKey is QEKXSSXHINNNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-9-3-5-12(8-13(9)16(19)21)24(22,23)20-10(2)11-4-6-14(17)15(18)7-11/h3-8,10,20H,1-2H3,(H2,19,21).
What are the key properties of 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide?
5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide has a molecular weight of 354.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 46406560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).