4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

C18H19N3O2S — CID 19578079

IUPAC4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-7-9-17(10-8-14)24(22,23)20-18-11-12-21(19-18)13-16-6-4-3-5-15(16)2/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyJTMANLCMFAUUCH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide

4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 19578079) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID19578079
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-7-9-17(10-8-14)24(22,23)20-18-11-12-21(19-18)13-16-6-4-3-5-15(16)2/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyJTMANLCMFAUUCH-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 4770409
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203594
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 19578079) is 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1.
What is the InChIKey of 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is JTMANLCMFAUUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-7-9-17(10-8-14)24(22,23)20-18-11-12-21(19-18)13-16-6-4-3-5-15(16)2/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19578079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).