5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide

C13H16N4O3S — CID 46412123

IUPAC5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H16N4O3S/c1-3-16-21(19,20)11-5-4-9(2)12(6-11)13(18)17-10-7-14-15-8-10/h4-8,16H,3H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyZNQITCAVEBLWMV-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds5

About 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide

5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 46412123) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID46412123
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C13H16N4O3S/c1-3-16-21(19,20)11-5-4-9(2)12(6-11)13(18)17-10-7-14-15-8-10/h4-8,16H,3H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyZNQITCAVEBLWMV-UHFFFAOYSA-N
XLogP1.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25486579
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
5-(ethylsulfamoyl)-2-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55971765
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
CID 26561827
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 51101805
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 46412123) is 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is ZNQITCAVEBLWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-3-16-21(19,20)11-5-4-9(2)12(6-11)13(18)17-10-7-14-15-8-10/h4-8,16H,3H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 46412123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).