N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide

C22H17N3O3S — CID 5298268

IUPACN-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n1
InChIInChI=1S/C22H17N3O3S/c1-15-12-13-25(23-15)17-8-6-16(7-9-17)24-29(26,27)18-10-11-22-20(14-18)19-4-2-3-5-21(19)28-22/h2-14,24H,1H3
InChIKeyOWTDGEPAIMQAIR-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.88
Rot. Bonds4

About N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide

N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide (PubChem CID 5298268) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide
PubChem CID5298268
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide
SMILESCc1ccn(-c2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n1
InChIInChI=1S/C22H17N3O3S/c1-15-12-13-25(23-15)17-8-6-16(7-9-17)24-29(26,27)18-10-11-22-20(14-18)19-4-2-3-5-21(19)28-22/h2-14,24H,1H3
InChIKeyOWTDGEPAIMQAIR-UHFFFAOYSA-N
XLogP4.88
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide (CID 5298268) is N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide is Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2)n1.
What is the InChIKey of N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide?
The InChIKey is OWTDGEPAIMQAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-15-12-13-25(23-15)17-8-6-16(7-9-17)24-29(26,27)18-10-11-22-20(14-18)19-4-2-3-5-21(19)28-22/h2-14,24H,1H3.
What are the key properties of N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide?
N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide has a molecular weight of 403.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpyrazol-1-yl)phenyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 5298268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).