4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

C17H17N3O3S — CID 47062849

IUPAC4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c(C)c1
InChIInChI=1S/C17H17N3O3S/c1-12-10-15(23-2)6-7-17(12)24(21,22)20-14-5-3-4-13(11-14)16-8-9-18-19-16/h3-11,20H,1-2H3,(H,18,19)
InChIKeyRIAYKQDDYGLWTC-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.19
Rot. Bonds5

About 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 47062849) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID47062849
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c(C)c1
InChIInChI=1S/C17H17N3O3S/c1-12-10-15(23-2)6-7-17(12)24(21,22)20-14-5-3-4-13(11-14)16-8-9-18-19-16/h3-11,20H,1-2H3,(H,18,19)
InChIKeyRIAYKQDDYGLWTC-UHFFFAOYSA-N
XLogP3.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
3-methoxy-N-[3-(1H-pyrazol-5-yl)phenyl]propane-1-sulfonamide
CID 63287844
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
2-hydroxy-5-methoxy-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 146087314
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 47062849) is 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is RIAYKQDDYGLWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-10-15(23-2)6-7-17(12)24(21,22)20-14-5-3-4-13(11-14)16-8-9-18-19-16/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).