3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide

C13H17BrN2O4S — CID 82731669

IUPAC3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(C(=O)NC2CCOC2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H17BrN2O4S/c1-7-10(14)5-9(6-12(7)21(15,18)19)13(17)16-11-3-4-20-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYHRUGLIWUUUREB-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.31
Rot. Bonds3

About 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide

3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide (PubChem CID 82731669) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
PubChem CID82731669
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Br)cc(C(=O)NC2CCOC2C)cc1S(N)(=O)=O
InChIInChI=1S/C13H17BrN2O4S/c1-7-10(14)5-9(6-12(7)21(15,18)19)13(17)16-11-3-4-20-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYHRUGLIWUUUREB-UHFFFAOYSA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 81488768
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
CID 81295004
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide (CID 82731669) is 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide is Cc1c(Br)cc(C(=O)NC2CCOC2C)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is YHRUGLIWUUUREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-7-10(14)5-9(6-12(7)21(15,18)19)13(17)16-11-3-4-20-8(11)2/h5-6,8,11H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide?
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 377.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 82731669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).