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

C19H21N3O2S — CID 22202093

IUPAC2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-14-8-9-18(16(3)12-14)25(23,24)21-19-10-11-22(20-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyLEWWNSHXDPLNHN-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds5

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

2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22202093) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22202093
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-14-8-9-18(16(3)12-14)25(23,24)21-19-10-11-22(20-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyLEWWNSHXDPLNHN-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22204982
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206528
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 4770409
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22202093) is 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is LEWWNSHXDPLNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-8-9-18(16(3)12-14)25(23,24)21-19-10-11-22(20-19)13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22202093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).