2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide

C16H23N3O3S — CID 166266068

IUPAC2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1ccn(Cc2ccccc2C)n1)OC
InChIInChI=1S/C16H23N3O3S/c1-4-15(22-3)12-23(20,21)18-16-9-10-19(17-16)11-14-8-6-5-7-13(14)2/h5-10,15H,4,11-12H2,1-3H3,(H,17,18)
InChIKeyPKLRGDDVTRAGQR-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.41
Rot. Bonds8

About 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide

2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide (PubChem CID 166266068) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
PubChem CID166266068
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1ccn(Cc2ccccc2C)n1)OC
InChIInChI=1S/C16H23N3O3S/c1-4-15(22-3)12-23(20,21)18-16-9-10-19(17-16)11-14-8-6-5-7-13(14)2/h5-10,15H,4,11-12H2,1-3H3,(H,17,18)
InChIKeyPKLRGDDVTRAGQR-UHFFFAOYSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202093
5-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 4770409
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
CID 99988035
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22203620
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The IUPAC name of 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide (CID 166266068) is 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The canonical SMILES for 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide is CCC(CS(=O)(=O)Nc1ccn(Cc2ccccc2C)n1)OC.
What is the InChIKey of 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
The InChIKey is PKLRGDDVTRAGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-15(22-3)12-23(20,21)18-16-9-10-19(17-16)11-14-8-6-5-7-13(14)2/h5-10,15H,4,11-12H2,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide?
2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 166266068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).