N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide

C16H13N3O3S — CID 166207007

IUPACN-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1
InChIInChI=1S/C16H13N3O3S/c1-19-10-11(9-17-19)18-23(20,21)12-6-7-16-14(8-12)13-4-2-3-5-15(13)22-16/h2-10,18H,1H3
InChIKeyNKCOTTFHNWSEFB-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.12
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide

N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide (PubChem CID 166207007) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide
PubChem CID166207007
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1
InChIInChI=1S/C16H13N3O3S/c1-19-10-11(9-17-19)18-23(20,21)12-6-7-16-14(8-12)13-4-2-3-5-15(13)22-16/h2-10,18H,1H3
InChIKeyNKCOTTFHNWSEFB-UHFFFAOYSA-N
XLogP3.12
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide (CID 166207007) is N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide is Cn1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide?
The InChIKey is NKCOTTFHNWSEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-19-10-11(9-17-19)18-23(20,21)12-6-7-16-14(8-12)13-4-2-3-5-15(13)22-16/h2-10,18H,1H3.
What are the key properties of N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide?
N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide has a molecular weight of 327.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)dibenzofuran-2-sulfonamide is sourced from PubChem (CID 166207007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).