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

C19H22N4O3S — CID 24819253

IUPAC2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C19H22N4O3S/c1-13-8-9-17(26-4)18(11-13)27(24,25)22-14(2)16-12-21-23(15(16)3)19-7-5-6-10-20-19/h5-12,14,22H,1-4H3
InChIKeyRPFGQSNDGWUFRY-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.93
Rot. Bonds6

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

2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 24819253) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID24819253
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C19H22N4O3S/c1-13-8-9-17(26-4)18(11-13)27(24,25)22-14(2)16-12-21-23(15(16)3)19-7-5-6-10-20-19/h5-12,14,22H,1-4H3
InChIKeyRPFGQSNDGWUFRY-UHFFFAOYSA-N
XLogP2.93
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 24819253) is 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(C)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is RPFGQSNDGWUFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-8-9-17(26-4)18(11-13)27(24,25)22-14(2)16-12-21-23(15(16)3)19-7-5-6-10-20-19/h5-12,14,22H,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24819253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).