1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole

C19H20N2O5S2 — CID 175729102

IUPAC1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C19H20N2O5S2/c1-13-5-9-17(10-6-13)27(22,23)19-14(2)20-21(15(19)3)28(24,25)18-11-7-16(26-4)8-12-18/h5-12H,1-4H3
InChIKeyJTSWDSQRKSVEFH-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole

1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole (PubChem CID 175729102) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
PubChem CID175729102
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
SMILESCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C19H20N2O5S2/c1-13-5-9-17(10-6-13)27(22,23)19-14(2)20-21(15(19)3)28(24,25)18-11-7-16(26-4)8-12-18/h5-12H,1-4H3
InChIKeyJTSWDSQRKSVEFH-UHFFFAOYSA-N
XLogP2.89
TPSA95.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole
CID 23731442
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
CID 156769792
5-(1-benzothiophen-2-yl)-3-methyl-1,4-bis-(4-methylphenyl)sulfonylpyrazole
CID 156769790
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
5-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazolo[4,5-b]pyridine
CID 170960246
2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
CID 170913262
[1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 3-methoxybenzoate
CID 3286723
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole (CID 175729102) is 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole is COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is JTSWDSQRKSVEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-13-5-9-17(10-6-13)27(22,23)19-14(2)20-21(15(19)3)28(24,25)18-11-7-16(26-4)8-12-18/h5-12H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole?
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 420.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 175729102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).