N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C16H15N3O3S — CID 20914763

IUPACN-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C16H15N3O3S/c1-22-15-5-2-4-13(12-15)18-23(20,21)16-8-6-14(7-9-16)19-11-3-10-17-19/h2-12,18H,1H3
InChIKeyIRJKWWGJOBHMPK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.68
Rot. Bonds5

About N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914763) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914763
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C16H15N3O3S/c1-22-15-5-2-4-13(12-15)18-23(20,21)16-8-6-14(7-9-16)19-11-3-10-17-19/h2-12,18H,1H3
InChIKeyIRJKWWGJOBHMPK-UHFFFAOYSA-N
XLogP2.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914763) is N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is IRJKWWGJOBHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-15-5-2-4-13(12-15)18-23(20,21)16-8-6-14(7-9-16)19-11-3-10-17-19/h2-12,18H,1H3.
What are the key properties of N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).