1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide

C11H13N3O2S — CID 68865423

IUPAC1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H13N3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)14-11-6-7-12-13-11/h2-7H,8H2,1H3,(H2,12,13,14)
InChIKeyHFMGEHUVWSQZBV-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide

1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide (PubChem CID 68865423) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide
PubChem CID68865423
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C11H13N3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)14-11-6-7-12-13-11/h2-7H,8H2,1H3,(H2,12,13,14)
InChIKeyHFMGEHUVWSQZBV-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 61394269
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
1-(4-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 110756940
1-(4-methylphenyl)-N-(5-phenyl-3-pyridinyl)methanesulfonamide
CID 110713753
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
1-(4-methylphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)methanesulfonamide
CID 41342565
3-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393951
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
CID 110776970
N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 116798756

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide (CID 68865423) is 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide?
The InChIKey is HFMGEHUVWSQZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)14-11-6-7-12-13-11/h2-7H,8H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide?
1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide is sourced from PubChem (CID 68865423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).