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

C14H21BrN2O3S — CID 65389241

IUPAC5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21BrN2O3S/c1-5-8(2)10(4)17-14(18)12-6-11(15)7-13(9(12)3)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyLHJAUUADZLLNOO-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.57
Rot. Bonds5

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

5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65389241) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
PubChem CID65389241
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21BrN2O3S/c1-5-8(2)10(4)17-14(18)12-6-11(15)7-13(9(12)3)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyLHJAUUADZLLNOO-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

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Related Compounds

5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide (CID 65389241) is 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide is CCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is LHJAUUADZLLNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-5-8(2)10(4)17-14(18)12-6-11(15)7-13(9(12)3)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-(3-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-(3-methylpentan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65389241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).