N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C14H15N3O3S — CID 126838123

IUPACN-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2c1OCC2)c1cnccn1
InChIInChI=1S/C14H15N3O3S/c1-10(12-9-15-6-7-16-12)17-21(18,19)13-4-2-3-11-5-8-20-14(11)13/h2-4,6-7,9-10,17H,5,8H2,1H3/t10-/m1/s1
InChIKeyXSVNGTGZUMUMAR-SNVBAGLBSA-N
MW305.36 g/mol
LogP1.45
Rot. Bonds4

About N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide

N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 126838123) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID126838123
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2c1OCC2)c1cnccn1
InChIInChI=1S/C14H15N3O3S/c1-10(12-9-15-6-7-16-12)17-21(18,19)13-4-2-3-11-5-8-20-14(11)13/h2-4,6-7,9-10,17H,5,8H2,1H3/t10-/m1/s1
InChIKeyXSVNGTGZUMUMAR-SNVBAGLBSA-N
XLogP1.45
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 126838123) is N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is C[C@@H](NS(=O)(=O)c1cccc2c1OCC2)c1cnccn1.
What is the InChIKey of N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is XSVNGTGZUMUMAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10(12-9-15-6-7-16-12)17-21(18,19)13-4-2-3-11-5-8-20-14(11)13/h2-4,6-7,9-10,17H,5,8H2,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 126838123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).