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

C19H21N3O4S — CID 22202096

IUPAC3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-14-6-4-5-7-15(14)13-22-11-10-19(20-22)21-27(23,24)16-8-9-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyMWVMBFNMWAVIHB-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.06
Rot. Bonds7

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

3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 22202096) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID22202096
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-14-6-4-5-7-15(14)13-22-11-10-19(20-22)21-27(23,24)16-8-9-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyMWVMBFNMWAVIHB-UHFFFAOYSA-N
XLogP3.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
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
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
2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
CID 166266068
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206847
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide (CID 22202096) is 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is MWVMBFNMWAVIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14-6-4-5-7-15(14)13-22-11-10-19(20-22)21-27(23,24)16-8-9-17(25-2)18(12-16)26-3/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide?
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22202096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).