3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide

C11H11N3O3S — CID 60580034

IUPAC3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)11(15)13-10-5-6-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyUNAOAUBLZHLBNI-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.07
Rot. Bonds3

About 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide

3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 60580034) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
PubChem CID60580034
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)11(15)13-10-5-6-12-14-10/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyUNAOAUBLZHLBNI-UHFFFAOYSA-N
XLogP1.07
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
N-bromo-3-methylsulfonylbenzamide
CID 174925666
3,4-dihydroxy-N-(1H-pyrazol-5-yl)benzamide
CID 103956763
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide (CID 60580034) is 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is UNAOAUBLZHLBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-18(16,17)9-4-2-3-8(7-9)11(15)13-10-5-6-12-14-10/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide?
3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 265.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 60580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).