2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C19H22N4O4S — CID 86266233

IUPAC2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)c1
InChIInChI=1S/C19H22N4O4S/c1-14-12-17(15-6-8-20-9-7-15)22-23(14)11-10-21-28(24,25)19-13-16(26-2)4-5-18(19)27-3/h4-9,12-13,21H,10-11H2,1-3H3
InChIKeyBAYBWEBKKSLGKZ-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.25
Rot. Bonds8

About 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 86266233) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID86266233
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)c1
InChIInChI=1S/C19H22N4O4S/c1-14-12-17(15-6-8-20-9-7-15)22-23(14)11-10-21-28(24,25)19-13-16(26-2)4-5-18(19)27-3/h4-9,12-13,21H,10-11H2,1-3H3
InChIKeyBAYBWEBKKSLGKZ-UHFFFAOYSA-N
XLogP2.25
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
2-methoxy-4,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825990
5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 86266233) is 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BAYBWEBKKSLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-14-12-17(15-6-8-20-9-7-15)22-23(14)11-10-21-28(24,25)19-13-16(26-2)4-5-18(19)27-3/h4-9,12-13,21H,10-11H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 86266233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).