5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide

C11H15BrN2O3S — CID 65375922

IUPAC5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
SMILESCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H15BrN2O3S/c1-3-4-14-11(15)9-5-8(12)6-10(7(9)2)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyXLGMPOHPRDVOOL-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.54
Rot. Bonds4

About 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide

5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide (PubChem CID 65375922) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
PubChem CID65375922
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
SMILESCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H15BrN2O3S/c1-3-4-14-11(15)9-5-8(12)6-10(7(9)2)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyXLGMPOHPRDVOOL-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
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-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
5-bromo-3-(2-methoxyethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65368654
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide (CID 65375922) is 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide is CCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide?
The InChIKey is XLGMPOHPRDVOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-3-4-14-11(15)9-5-8(12)6-10(7(9)2)18(13,16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide has a molecular weight of 335.22 g/mol, XLogP of 1.54, 4 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-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65375922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).