3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide

C19H24FN3O3S — CID 167966426

IUPAC3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
SMILESCN(C)c1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H24FN3O3S/c1-19(2,3)22-27(25,26)17-8-6-7-13(9-17)18(24)21-15-10-14(20)11-16(12-15)23(4)5/h6-12,22H,1-5H3,(H,21,24)
InChIKeyJIZAIGNHPRJZTH-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.22
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide

3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide (PubChem CID 167966426) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
PubChem CID167966426
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide
SMILESCN(C)c1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C19H24FN3O3S/c1-19(2,3)22-27(25,26)17-8-6-7-13(9-17)18(24)21-15-10-14(20)11-16(12-15)23(4)5/h6-12,22H,1-5H3,(H,21,24)
InChIKeyJIZAIGNHPRJZTH-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-(tert-butylsulfamoyl)-N-(2-chlorophenyl)benzamide
CID 9411270
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-(tert-butylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 35028286
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide (CID 167966426) is 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide is CN(C)c1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide?
The InChIKey is JIZAIGNHPRJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-19(2,3)22-27(25,26)17-8-6-7-13(9-17)18(24)21-15-10-14(20)11-16(12-15)23(4)5/h6-12,22H,1-5H3,(H,21,24).
What are the key properties of 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide?
3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide has a molecular weight of 393.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-[3-(dimethylamino)-5-fluorophenyl]benzamide is sourced from PubChem (CID 167966426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).