2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide

C16H21N3O3S — CID 138047798

IUPAC2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1cc2n(n1)CCCC2
InChIInChI=1S/C16H21N3O3S/c1-12(14-11-13-7-5-6-10-19(13)17-14)18-23(20,21)16-9-4-3-8-15(16)22-2/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyFPRUJMXYWFRFIY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.27
Rot. Bonds5

About 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide

2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 138047798) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID138047798
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1cc2n(n1)CCCC2
InChIInChI=1S/C16H21N3O3S/c1-12(14-11-13-7-5-6-10-19(13)17-14)18-23(20,21)16-9-4-3-8-15(16)22-2/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyFPRUJMXYWFRFIY-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 94638328
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524291

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide (CID 138047798) is 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NC(C)c1cc2n(n1)CCCC2.
What is the InChIKey of 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is FPRUJMXYWFRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12(14-11-13-7-5-6-10-19(13)17-14)18-23(20,21)16-9-4-3-8-15(16)22-2/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3.
What are the key properties of 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide?
2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 138047798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).