4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

C17H16BrN5O3S — CID 39167014

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1Br
InChIInChI=1S/C17H16BrN5O3S/c1-22(2)27(25,26)15-11-12(6-7-13(15)18)17(24)21-14-5-3-8-19-16(14)23-10-4-9-20-23/h3-11H,1-2H3,(H,21,24)
InChIKeyYNMNMMHEJUSBJP-UHFFFAOYSA-N
MW450.32 g/mol
LogP2.53
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 39167014) has the molecular formula C17H16BrN5O3S and a molecular weight of 450.32 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID39167014
Molecular FormulaC17H16BrN5O3S
Molecular Weight450.32 g/mol
Exact Mass449.02
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1Br
InChIInChI=1S/C17H16BrN5O3S/c1-22(2)27(25,26)15-11-12(6-7-13(15)18)17(24)21-14-5-3-8-19-16(14)23-10-4-9-20-23/h3-11H,1-2H3,(H,21,24)
InChIKeyYNMNMMHEJUSBJP-UHFFFAOYSA-N
XLogP2.53
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55642916
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 62952714
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
CID 87024966
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
2-methoxy-2-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 103028916
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
methyl 3-nitro-5-[(2-pyrazol-1-yl-3-pyridinyl)carbamoyl]benzoate
CID 30887094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (CID 39167014) is 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is YNMNMMHEJUSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O3S/c1-22(2)27(25,26)15-11-12(6-7-13(15)18)17(24)21-14-5-3-8-19-16(14)23-10-4-9-20-23/h3-11H,1-2H3,(H,21,24).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 450.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 39167014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).