3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide

C19H24N2O3S — CID 8714252

IUPAC3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C
InChIInChI=1S/C19H24N2O3S/c1-13-8-6-11-17(14(13)2)20-18(22)15-9-7-10-16(12-15)25(23,24)21-19(3,4)5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyNCRVJGVFCOTBNB-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.63
Rot. Bonds4

About 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide

3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide (PubChem CID 8714252) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
PubChem CID8714252
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C
InChIInChI=1S/C19H24N2O3S/c1-13-8-6-11-17(14(13)2)20-18(22)15-9-7-10-16(12-15)25(23,24)21-19(3,4)5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyNCRVJGVFCOTBNB-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide (CID 8714252) is 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is NCRVJGVFCOTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-8-6-11-17(14(13)2)20-18(22)15-9-7-10-16(12-15)25(23,24)21-19(3,4)5/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide?
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 8714252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).