2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide

C12H15BrN2O3S — CID 121398580

IUPAC2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC2(C)CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(16)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,16)
InChIKeySWJAPXXIPSJVMI-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.64
Rot. Bonds4

About 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide

2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide (PubChem CID 121398580) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
PubChem CID121398580
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC2(C)CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O3S/c1-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(16)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,16)
InChIKeySWJAPXXIPSJVMI-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
2-amino-N-(2-cyanoethyl)-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398492
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
N-(2-amino-2-oxoethyl)-2-bromo-5-(methylsulfamoyl)benzamide
CID 9296499
N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415915
4-bromo-3-[(2,2-dimethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65397188
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
2-bromo-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 9341633
2-bromo-5-(methylaminomethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486176
3-(4-fluorobenzoyl)-N-(1-methylcyclopropyl)-1H-indole-6-sulfonamide
CID 121415969

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The IUPAC name of 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide (CID 121398580) is 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The canonical SMILES for 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide is CNC(=O)c1cc(S(=O)(=O)NC2(C)CC2)ccc1Br.
What is the InChIKey of 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide?
The InChIKey is SWJAPXXIPSJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-12(5-6-12)15-19(17,18)8-3-4-10(13)9(7-8)11(16)14-2/h3-4,7,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide?
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide has a molecular weight of 347.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide is sourced from PubChem (CID 121398580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).