5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide

C14H21BrN2O3S — CID 65387785

IUPAC5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZFZYNEZCYRBQNO-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.57
Rot. Bonds5

About 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide

5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65387785) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
PubChem CID65387785
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZFZYNEZCYRBQNO-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide (CID 65387785) is 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide is Cc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is ZFZYNEZCYRBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65387785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).