2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C20H23N3O2S — CID 5163862

IUPAC2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)c1C
InChIInChI=1S/C20H23N3O2S/c1-13-11-14(2)16(4)20(15(13)3)26(24,25)22-19-12-18(21-23(19)5)17-9-7-6-8-10-17/h6-12,22H,1-5H3
InChIKeyUBCZGKCRIFVMFA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.12
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 5163862) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID5163862
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)c1C
InChIInChI=1S/C20H23N3O2S/c1-13-11-14(2)16(4)20(15(13)3)26(24,25)22-19-12-18(21-23(19)5)17-9-7-6-8-10-17/h6-12,22H,1-5H3
InChIKeyUBCZGKCRIFVMFA-UHFFFAOYSA-N
XLogP4.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 5163862) is 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is UBCZGKCRIFVMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-11-14(2)16(4)20(15(13)3)26(24,25)22-19-12-18(21-23(19)5)17-9-7-6-8-10-17/h6-12,22H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 5163862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).