N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide

C12H13N3O3S — CID 32604546

IUPACN-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
SMILESCn1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C12H13N3O3S/c1-15-8-10(7-13-15)14-12(16)9-3-5-11(6-4-9)19(2,17)18/h3-8H,1-2H3,(H,14,16)
InChIKeyLHBOLLRGTGTPNG-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.08
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide

N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide (PubChem CID 32604546) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
PubChem CID32604546
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
SMILESCn1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C12H13N3O3S/c1-15-8-10(7-13-15)14-12(16)9-3-5-11(6-4-9)19(2,17)18/h3-8H,1-2H3,(H,14,16)
InChIKeyLHBOLLRGTGTPNG-UHFFFAOYSA-N
XLogP1.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
N-(1-methylpyrazol-4-yl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096516
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 18128242
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide (CID 32604546) is N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide is Cn1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide?
The InChIKey is LHBOLLRGTGTPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-15-8-10(7-13-15)14-12(16)9-3-5-11(6-4-9)19(2,17)18/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide?
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide has a molecular weight of 279.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 32604546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).