3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide

C11H13BrN2O3S — CID 65374087

IUPAC3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H13BrN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17)
InChIKeyPJNNOMXDFCQXLI-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.33
Rot. Bonds3

About 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide

3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide (PubChem CID 65374087) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
PubChem CID65374087
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H13BrN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17)
InChIKeyPJNNOMXDFCQXLI-UHFFFAOYSA-N
XLogP1.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107420186
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide (CID 65374087) is 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The InChIKey is PJNNOMXDFCQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17).
What are the key properties of 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide has a molecular weight of 333.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65374087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).