N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide

C16H17N3O4S — CID 166312833

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc3occc3c2)c2c1CCOC2
InChIInChI=1S/C16H17N3O4S/c1-19-15-5-6-22-10-13(15)14(18-19)9-17-24(20,21)12-2-3-16-11(8-12)4-7-23-16/h2-4,7-8,17H,5-6,9-10H2,1H3
InChIKeyTVYFKDQVHYVWKI-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.72
Rot. Bonds4

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide (PubChem CID 166312833) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide
PubChem CID166312833
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2ccc3occc3c2)c2c1CCOC2
InChIInChI=1S/C16H17N3O4S/c1-19-15-5-6-22-10-13(15)14(18-19)9-17-24(20,21)12-2-3-16-11(8-12)4-7-23-16/h2-4,7-8,17H,5-6,9-10H2,1H3
InChIKeyTVYFKDQVHYVWKI-UHFFFAOYSA-N
XLogP1.72
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide (CID 166312833) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide is Cn1nc(CNS(=O)(=O)c2ccc3occc3c2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide?
The InChIKey is TVYFKDQVHYVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-19-15-5-6-22-10-13(15)14(18-19)9-17-24(20,21)12-2-3-16-11(8-12)4-7-23-16/h2-4,7-8,17H,5-6,9-10H2,1H3.
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 166312833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).