N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide

C13H16N4O3S — CID 102692709

IUPACN-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-3-14-13(18)10-5-4-9(2)11(8-10)17-21(19,20)12-6-7-15-16-12/h4-8,17H,3H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPPBYVICCXOLJPH-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide

N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide (PubChem CID 102692709) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
PubChem CID102692709
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-3-14-13(18)10-5-4-9(2)11(8-10)17-21(19,20)12-6-7-15-16-12/h4-8,17H,3H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyPPBYVICCXOLJPH-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

3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
3-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692470
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
N-(2,4-dimethyl-5-nitrophenyl)-1H-pyrazole-5-sulfonamide
CID 102693349
3-[[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]sulfonylamino]-4-methylbenzoic acid
CID 6502999
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The IUPAC name of N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide (CID 102692709) is N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide is CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
The InChIKey is PPBYVICCXOLJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-3-14-13(18)10-5-4-9(2)11(8-10)17-21(19,20)12-6-7-15-16-12/h4-8,17H,3H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide?
N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)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 N-ethyl-4-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide is sourced from PubChem (CID 102692709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).