1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide

C20H25N3O2S — CID 86934774

IUPAC1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-14-19(15(2)23(21-14)20(3,4)5)26(24,25)22(6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13H,1-6H3
InChIKeyFVSKQOXBJGEBCD-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.23
Rot. Bonds3

About 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide

1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide (PubChem CID 86934774) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide
PubChem CID86934774
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2S/c1-14-19(15(2)23(21-14)20(3,4)5)26(24,25)22(6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13H,1-6H3
InChIKeyFVSKQOXBJGEBCD-UHFFFAOYSA-N
XLogP4.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide (CID 86934774) is 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)N(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide?
The InChIKey is FVSKQOXBJGEBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-19(15(2)23(21-14)20(3,4)5)26(24,25)22(6)18-12-11-16-9-7-8-10-17(16)13-18/h7-13H,1-6H3.
What are the key properties of 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide?
1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,3,5-trimethyl-N-naphthalen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 86934774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).