N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide

C17H17F3N2O4S — CID 4795128

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-22(2)27(24,25)13-8-9-15(26-3)14(10-13)21-16(23)11-4-6-12(7-5-11)17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyQTEQSVHXQQYNKD-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.22
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 4795128) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
PubChem CID4795128
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-22(2)27(24,25)13-8-9-15(26-3)14(10-13)21-16(23)11-4-6-12(7-5-11)17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyQTEQSVHXQQYNKD-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7921725
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 31894215
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622406

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide (CID 4795128) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QTEQSVHXQQYNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-22(2)27(24,25)13-8-9-15(26-3)14(10-13)21-16(23)11-4-6-12(7-5-11)17(18,19)20/h4-10H,1-3H3,(H,21,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 402.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4795128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).