2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide

C17H17N3O3S — CID 51093687

IUPAC2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-n2nccc2C)c1
InChIInChI=1S/C17H17N3O3S/c1-13-10-11-18-20(13)15-7-5-6-14(12-15)19-24(21,22)17-9-4-3-8-16(17)23-2/h3-12,19H,1-2H3
InChIKeyJOCXBYJDDAMLOQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.99
Rot. Bonds5

About 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide

2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 51093687) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID51093687
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-n2nccc2C)c1
InChIInChI=1S/C17H17N3O3S/c1-13-10-11-18-20(13)15-7-5-6-14(12-15)19-24(21,22)17-9-4-3-8-16(17)23-2/h3-12,19H,1-2H3
InChIKeyJOCXBYJDDAMLOQ-UHFFFAOYSA-N
XLogP2.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037099
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 55603694
N-[3-[(3R,4R)-1-(2,6-dimethylbenzoyl)-4-methoxypyrrolidin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 142424388

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide (CID 51093687) is 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cccc(-n2nccc2C)c1.
What is the InChIKey of 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is JOCXBYJDDAMLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-10-11-18-20(13)15-7-5-6-14(12-15)19-24(21,22)17-9-4-3-8-16(17)23-2/h3-12,19H,1-2H3.
What are the key properties of 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide?
2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(5-methylpyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51093687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).