N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide

C18H17N3O3S — CID 8822512

IUPACN-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17N3O3S/c1-11-18(12(2)21(3)19-11)25(22,23)20-13-8-9-17-15(10-13)14-6-4-5-7-16(14)24-17/h4-10,20H,1-3H3
InChIKeyJIDWUWSUGKQZBB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.74
Rot. Bonds3

About N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide

N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8822512) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8822512
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17N3O3S/c1-11-18(12(2)21(3)19-11)25(22,23)20-13-8-9-17-15(10-13)14-6-4-5-7-16(14)24-17/h4-10,20H,1-3H3
InChIKeyJIDWUWSUGKQZBB-UHFFFAOYSA-N
XLogP3.74
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8822512) is N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is JIDWUWSUGKQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-18(12(2)21(3)19-11)25(22,23)20-13-8-9-17-15(10-13)14-6-4-5-7-16(14)24-17/h4-10,20H,1-3H3.
What are the key properties of N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide?
N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8822512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).