4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

C19H19BrN4O3S — CID 55642916

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1Br
InChIInChI=1S/C19H19BrN4O3S/c1-23(2)28(26,27)18-12-14(8-9-16(18)20)19(25)22-17-7-4-3-6-15(17)13-24-11-5-10-21-24/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyNEDJAIVYOPQKTH-UHFFFAOYSA-N
MW463.36 g/mol
LogP3.20
Rot. Bonds6

About 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55642916) has the molecular formula C19H19BrN4O3S and a molecular weight of 463.36 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID55642916
Molecular FormulaC19H19BrN4O3S
Molecular Weight463.36 g/mol
Exact Mass462.04
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1Br
InChIInChI=1S/C19H19BrN4O3S/c1-23(2)28(26,27)18-12-14(8-9-16(18)20)19(25)22-17-7-4-3-6-15(17)13-24-11-5-10-21-24/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyNEDJAIVYOPQKTH-UHFFFAOYSA-N
XLogP3.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 39167014
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46427584
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
ethyl 3-bromo-4-[[2-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 39844390
2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 8839427
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
CID 60557163
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 55642916) is 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Cn2cccn2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is NEDJAIVYOPQKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3S/c1-23(2)28(26,27)18-12-14(8-9-16(18)20)19(25)22-17-7-4-3-6-15(17)13-24-11-5-10-21-24/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 463.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).