3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide

C17H17F3N2O3S — CID 30272949

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H17F3N2O3S/c1-9-7-11(8-14(10(9)2)26(24,25)22(3)4)17(23)21-13-6-5-12(18)15(19)16(13)20/h5-8H,1-4H3,(H,21,23)
InChIKeyHARXTAMMFFSUJX-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.22
Rot. Bonds4

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 30272949) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID30272949
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H17F3N2O3S/c1-9-7-11(8-14(10(9)2)26(24,25)22(3)4)17(23)21-13-6-5-12(18)15(19)16(13)20/h5-8H,1-4H3,(H,21,23)
InChIKeyHARXTAMMFFSUJX-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
N-(5-chloro-2-pyridinyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34136281
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 3439145
N-(5-carbamoyl-2-methoxyphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55783419
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237996
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
CID 134028865

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide (CID 30272949) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide is Cc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is HARXTAMMFFSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-9-7-11(8-14(10(9)2)26(24,25)22(3)4)17(23)21-13-6-5-12(18)15(19)16(13)20/h5-8H,1-4H3,(H,21,23).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 30272949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).