4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide

C17H19BrN2O3S — CID 25445720

IUPAC4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-14(11-15)19-16(21)12-7-9-13(18)10-8-12/h4-11,20H,1-3H3,(H,19,21)
InChIKeyMNEUODRICLOVTH-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.78
Rot. Bonds4

About 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide

4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide (PubChem CID 25445720) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
PubChem CID25445720
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-14(11-15)19-16(21)12-7-9-13(18)10-8-12/h4-11,20H,1-3H3,(H,19,21)
InChIKeyMNEUODRICLOVTH-UHFFFAOYSA-N
XLogP3.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 9107968
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
3-acetyl-N-[2-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 39703790
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide (CID 25445720) is 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide?
The InChIKey is MNEUODRICLOVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-17(2,3)20-24(22,23)15-6-4-5-14(11-15)19-16(21)12-7-9-13(18)10-8-12/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide?
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 25445720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).