4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide

C16H16N4O3S — CID 34113136

IUPAC4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C16H16N4O3S/c1-23-14-3-5-15(6-4-14)24(21,22)19-12-13-7-9-17-16(11-13)20-10-2-8-18-20/h2-11,19H,12H2,1H3
InChIKeyQIAGTOMXRZLGPJ-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.75
Rot. Bonds6

About 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide

4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 34113136) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID34113136
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)cc1
InChIInChI=1S/C16H16N4O3S/c1-23-14-3-5-15(6-4-14)24(21,22)19-12-13-7-9-17-16(11-13)20-10-2-8-18-20/h2-11,19H,12H2,1H3
InChIKeyQIAGTOMXRZLGPJ-UHFFFAOYSA-N
XLogP1.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113168
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62294663
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 55914039
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633
4-methoxy-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072880
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 34113136) is 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccnc(-n3cccn3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is QIAGTOMXRZLGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-23-14-3-5-15(6-4-14)24(21,22)19-12-13-7-9-17-16(11-13)20-10-2-8-18-20/h2-11,19H,12H2,1H3.
What are the key properties of 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide?
4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 34113136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).