2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H13Cl2N3O2S — CID 8933447

IUPAC2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c1-7-11(8(2)17(3)15-7)16-20(18,19)12-9(13)5-4-6-10(12)14/h4-6,16H,1-3H3
InChIKeyVGYZPSUYKCROSL-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.14
Rot. Bonds3

About 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 8933447) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID8933447
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c1-7-11(8(2)17(3)15-7)16-20(18,19)12-9(13)5-4-6-10(12)14/h4-6,16H,1-3H3
InChIKeyVGYZPSUYKCROSL-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 8933447) is 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is VGYZPSUYKCROSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-7-11(8(2)17(3)15-7)16-20(18,19)12-9(13)5-4-6-10(12)14/h4-6,16H,1-3H3.
What are the key properties of 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 8933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).