3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide

C14H21BrN2O3S — CID 104830398

IUPAC3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(S(N)(=O)=O)cc1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(7-12(8)15)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyFKIZOQSYAJEZME-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.57
Rot. Bonds3

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

3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 104830398) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
PubChem CID104830398
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(S(N)(=O)=O)cc1C(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(7-12(8)15)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyFKIZOQSYAJEZME-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 104830380
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
5-bromo-N-(3,3-dimethylbutan-2-yl)-4-sulfamoylfuran-2-carboxamide
CID 113458101
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
2-bromo-5-(3,3-dimethylbutan-2-ylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 104830358
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide (CID 104830398) is 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide is Cc1c(Br)cc(S(N)(=O)=O)cc1C(=O)NC(C)C(C)(C)C.
What is the InChIKey of 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is FKIZOQSYAJEZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-8-11(13(18)17-9(2)14(3,4)5)6-10(7-12(8)15)21(16,19)20/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide?
3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 104830398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).