4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

C17H17N3O3S — CID 3681501

IUPAC4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C17H17N3O3S/c1-20-17(12-16(18-20)13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(23-2)9-11-15/h3-12,19H,1-2H3
InChIKeyXJDRLPTUXPZTID-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.90
Rot. Bonds5

About 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide

4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (PubChem CID 3681501) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
PubChem CID3681501
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C17H17N3O3S/c1-20-17(12-16(18-20)13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(23-2)9-11-15/h3-12,19H,1-2H3
InChIKeyXJDRLPTUXPZTID-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 2815269
2,3,5,6-tetramethyl-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 5163862
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
2,4-difluoro-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3673892
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
1-methyl-3-phenyl-N-propan-2-ylpyrazol-5-amine
CID 10727427
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 55468355

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide (CID 3681501) is 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C)cc1.
What is the InChIKey of 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
The InChIKey is XJDRLPTUXPZTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-17(12-16(18-20)13-6-4-3-5-7-13)19-24(21,22)15-10-8-14(23-2)9-11-15/h3-12,19H,1-2H3.
What are the key properties of 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide?
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).