3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide

C10H13BrN2O3S — CID 71982585

IUPAC3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(N)(=O)=O)cc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-7-2-3-8(6-9(7)11)10(14)13-4-5-17(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyIBRMIEHRGLWARV-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.78
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide

3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide (PubChem CID 71982585) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
PubChem CID71982585
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(N)(=O)=O)cc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-7-2-3-8(6-9(7)11)10(14)13-4-5-17(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyIBRMIEHRGLWARV-UHFFFAOYSA-N
XLogP0.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852
3-hydroxy-4-methyl-N-(3-sulfamoylpropyl)benzamide
CID 61132238
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
3-bromo-N-(5-hydroxypentyl)-4-methylbenzamide
CID 107317891
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
4-hydroxy-N-(2-sulfamoylethyl)benzamide
CID 43552549
3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide (CID 71982585) is 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide is Cc1ccc(C(=O)NCCS(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide?
The InChIKey is IBRMIEHRGLWARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-7-2-3-8(6-9(7)11)10(14)13-4-5-17(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide?
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide has a molecular weight of 321.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 71982585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).