4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C15H17N5O2S — CID 57391848

IUPAC4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H17N5O2S/c1-11-15(12(2)19(3)17-11)18-23(21,22)14-7-5-13(6-8-14)20-10-4-9-16-20/h4-10,18H,1-3H3
InChIKeyOGRPBGATTQEJAA-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.02
Rot. Bonds4

About 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 57391848) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID57391848
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H17N5O2S/c1-11-15(12(2)19(3)17-11)18-23(21,22)14-7-5-13(6-8-14)20-10-4-9-16-20/h4-10,18H,1-3H3
InChIKeyOGRPBGATTQEJAA-UHFFFAOYSA-N
XLogP2.02
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 57391848) is 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is OGRPBGATTQEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-15(12(2)19(3)17-11)18-23(21,22)14-7-5-13(6-8-14)20-10-4-9-16-20/h4-10,18H,1-3H3.
What are the key properties of 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 57391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).