N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

C16H21N3O5S — CID 90615373

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ncc3c2CCOC3)c(OC)c1
InChIInChI=1S/C16H21N3O5S/c1-22-13-3-4-16(15(9-13)23-2)25(20,21)18-6-7-19-14-5-8-24-11-12(14)10-17-19/h3-4,9-10,18H,5-8,11H2,1-2H3
InChIKeyOXXZJYNVZBIHRU-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.95
Rot. Bonds7

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 90615373) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID90615373
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ncc3c2CCOC3)c(OC)c1
InChIInChI=1S/C16H21N3O5S/c1-22-13-3-4-16(15(9-13)23-2)25(20,21)18-6-7-19-14-5-8-24-11-12(14)10-17-19/h3-4,9-10,18H,5-8,11H2,1-2H3
InChIKeyOXXZJYNVZBIHRU-UHFFFAOYSA-N
XLogP0.95
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613993
3-chloro-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90615376
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide
CID 90615329
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 90615344
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 90615292
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90615454
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613992
2,4-dimethoxy-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614672
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90539276
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
2,4-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709979

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 90615373) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2ncc3c2CCOC3)c(OC)c1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is OXXZJYNVZBIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-22-13-3-4-16(15(9-13)23-2)25(20,21)18-6-7-19-14-5-8-24-11-12(14)10-17-19/h3-4,9-10,18H,5-8,11H2,1-2H3.
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 90615373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).