N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

C17H17N3O3S — CID 20914801

IUPACN-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-17-6-3-2-5-14(17)13-19-24(21,22)16-9-7-15(8-10-16)20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyDEOUIZANNQDKRM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.36
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914801) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914801
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O3S/c1-23-17-6-3-2-5-14(17)13-19-24(21,22)16-9-7-15(8-10-16)20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyDEOUIZANNQDKRM-UHFFFAOYSA-N
XLogP2.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 20914801) is N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DEOUIZANNQDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-23-17-6-3-2-5-14(17)13-19-24(21,22)16-9-7-15(8-10-16)20-12-4-11-18-20/h2-12,19H,13H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).