N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

C17H17F3N2O3S — CID 17450702

IUPACN-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1C
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-7-14(8-12(11)2)22-16(23)13-4-3-5-15(9-13)26(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyZEGYWQPSQMPLTM-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.40
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 17450702) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID17450702
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1C
InChIInChI=1S/C17H17F3N2O3S/c1-11-6-7-14(8-12(11)2)22-16(23)13-4-3-5-15(9-13)26(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyZEGYWQPSQMPLTM-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 30860581
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
tert-butyl N-[3-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]carbamate
CID 46612905
N-(2,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24536388
N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 170125944
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 24610745
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 17450702) is N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is ZEGYWQPSQMPLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11-6-7-14(8-12(11)2)22-16(23)13-4-3-5-15(9-13)26(24,25)21-10-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 17450702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).