5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

C12H17BrN2O3S — CID 65375575

IUPAC5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrN2O3S/c1-7(2)6-15-12(16)10-4-9(13)5-11(8(10)3)19(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVTMQVHISVMWTKZ-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.79
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide

5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (PubChem CID 65375575) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
PubChem CID65375575
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrN2O3S/c1-7(2)6-15-12(16)10-4-9(13)5-11(8(10)3)19(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyVTMQVHISVMWTKZ-UHFFFAOYSA-N
XLogP1.79
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
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
5-bromo-3-(2,3-dimethylbutylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396511
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
3-bromo-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65375571
3-[(5-bromo-2-methyl-3-sulfamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide (CID 65375575) is 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide is Cc1c(C(=O)NCC(C)C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
The InChIKey is VTMQVHISVMWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-7(2)6-15-12(16)10-4-9(13)5-11(8(10)3)19(14,17)18/h4-5,7H,6H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide has a molecular weight of 349.25 g/mol, XLogP of 1.79, 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-(2-methylpropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65375575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).