3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole

C22H20N2O4S3 — CID 156769792

IUPAC3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccsc2)cc1
InChIInChI=1S/C22H20N2O4S3/c1-15-4-8-19(9-5-15)30(25,26)22-17(3)23-24(21(22)18-12-13-29-14-18)31(27,28)20-10-6-16(2)7-11-20/h4-14H,1-3H3
InChIKeyWACMTPMDVLJWRB-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.61
Rot. Bonds5

About 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole

3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole (PubChem CID 156769792) has the molecular formula C22H20N2O4S3 and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole.

Molecular Properties

Compound Name3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
PubChem CID156769792
Molecular FormulaC22H20N2O4S3
Molecular Weight472.61 g/mol
Exact Mass472.06
IUPAC Name3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
SMILESCc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccsc2)cc1
InChIInChI=1S/C22H20N2O4S3/c1-15-4-8-19(9-5-15)30(25,26)22-17(3)23-24(21(22)18-12-13-29-14-18)31(27,28)20-10-6-16(2)7-11-20/h4-14H,1-3H3
InChIKeyWACMTPMDVLJWRB-UHFFFAOYSA-N
XLogP4.61
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
CID 163303734
5-(1-benzothiophen-2-yl)-3-methyl-1,4-bis-(4-methylphenyl)sulfonylpyrazole
CID 156769790
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
1-(4-methylphenyl)sulfonyl-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]piperazine
CID 56584486
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
CID 135693305
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole?
The IUPAC name of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole (CID 156769792) is 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole.
What is the SMILES notation for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole?
The canonical SMILES for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole is Cc1ccc(S(=O)(=O)c2c(C)nn(S(=O)(=O)c3ccc(C)cc3)c2-c2ccsc2)cc1.
What is the InChIKey of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole?
The InChIKey is WACMTPMDVLJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S3/c1-15-4-8-19(9-5-15)30(25,26)22-17(3)23-24(21(22)18-12-13-29-14-18)31(27,28)20-10-6-16(2)7-11-20/h4-14H,1-3H3.
What are the key properties of 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole?
3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole has a molecular weight of 472.61 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole is sourced from PubChem (CID 156769792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).