1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide

C20H23N3O4S2 — CID 22579067

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)c1
InChIInChI=1S/C20H23N3O4S2/c1-14-11-12-15(2)19(13-14)28(24,25)23-17(4)20(16(3)21-23)29(26,27)22(5)18-9-7-6-8-10-18/h6-13H,1-5H3
InChIKeyWOQLCQICDOCRQD-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.18
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide

1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide (PubChem CID 22579067) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide
PubChem CID22579067
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)c1
InChIInChI=1S/C20H23N3O4S2/c1-14-11-12-15(2)19(13-14)28(24,25)23-17(4)20(16(3)21-23)29(26,27)22(5)18-9-7-6-8-10-18/h6-13H,1-5H3
InChIKeyWOQLCQICDOCRQD-UHFFFAOYSA-N
XLogP3.18
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide (CID 22579067) is 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide is Cc1ccc(C)c(S(=O)(=O)n2nc(C)c(S(=O)(=O)N(C)c3ccccc3)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide?
The InChIKey is WOQLCQICDOCRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-14-11-12-15(2)19(13-14)28(24,25)23-17(4)20(16(3)21-23)29(26,27)22(5)18-9-7-6-8-10-18/h6-13H,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide?
1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide has a molecular weight of 433.56 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22579067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).