4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide

C19H21BrN2O3S — CID 43037303

IUPAC4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)C2CC2)ccc1Br
InChIInChI=1S/C19H21BrN2O3S/c1-22(2)26(24,25)17-12-15(10-11-16(17)20)19(23)21-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,23)
InChIKeyCVDVEJDNOXJGML-UHFFFAOYSA-N
MW437.36 g/mol
LogP3.58
Rot. Bonds6

About 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide

4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 43037303) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID43037303
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)C2CC2)ccc1Br
InChIInChI=1S/C19H21BrN2O3S/c1-22(2)26(24,25)17-12-15(10-11-16(17)20)19(23)21-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,23)
InChIKeyCVDVEJDNOXJGML-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 24582523
N-[cyclopropyl-(4-methylphenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24625890
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
4-(bromomethyl)-N-[cyclopropyl(phenyl)methyl]benzamide
CID 102850932
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
N-[cyclohexyl(phenyl)methyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55690038

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide (CID 43037303) is 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)C2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is CVDVEJDNOXJGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-22(2)26(24,25)17-12-15(10-11-16(17)20)19(23)21-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 437.36 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 43037303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).