2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

C16H15FN2O4S — CID 121331870

IUPAC2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(F)cc1)C2O
InChIInChI=1S/C16H15FN2O4S/c17-12-2-4-13(5-3-12)24(22,23)19-8-7-10-9-11(15(18)20)1-6-14(10)16(19)21/h1-6,9,16,21H,7-8H2,(H2,18,20)
InChIKeyCVPPUXIDHXRCAF-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 121331870) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID121331870
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(F)cc1)C2O
InChIInChI=1S/C16H15FN2O4S/c17-12-2-4-13(5-3-12)24(22,23)19-8-7-10-9-11(15(18)20)1-6-14(10)16(19)21/h1-6,9,16,21H,7-8H2,(H2,18,20)
InChIKeyCVPPUXIDHXRCAF-UHFFFAOYSA-N
XLogP1.16
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 121331870) is 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is NC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(F)cc1)C2O.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is CVPPUXIDHXRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c17-12-2-4-13(5-3-12)24(22,23)19-8-7-10-9-11(15(18)20)1-6-14(10)16(19)21/h1-6,9,16,21H,7-8H2,(H2,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 121331870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).