oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate

C23H21FN4O6S — CID 58664933

IUPACoxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)nc1)OCC1CCCO1
InChIInChI=1S/C23H21FN4O6S/c24-15-7-9-20(25-12-15)22(29)18-5-1-2-6-19(18)28-35(31,32)21-10-8-16(13-26-21)27-23(30)34-14-17-4-3-11-33-17/h1-2,5-10,12-13,17,28H,3-4,11,14H2,(H,27,30)
InChIKeyMNUIQUMEICJFHR-UHFFFAOYSA-N
MW500.51 g/mol
LogP3.38
Rot. Bonds8

About oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate

oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate (PubChem CID 58664933) has the molecular formula C23H21FN4O6S and a molecular weight of 500.51 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate
PubChem CID58664933
Molecular FormulaC23H21FN4O6S
Molecular Weight500.51 g/mol
Exact Mass500.12
IUPAC Nameoxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)nc1)OCC1CCCO1
InChIInChI=1S/C23H21FN4O6S/c24-15-7-9-20(25-12-15)22(29)18-5-1-2-6-19(18)28-35(31,32)21-10-8-16(13-26-21)27-23(30)34-14-17-4-3-11-33-17/h1-2,5-10,12-13,17,28H,3-4,11,14H2,(H,27,30)
InChIKeyMNUIQUMEICJFHR-UHFFFAOYSA-N
XLogP3.38
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate?
The IUPAC name of oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate (CID 58664933) is oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)nc1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate?
The InChIKey is MNUIQUMEICJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O6S/c24-15-7-9-20(25-12-15)22(29)18-5-1-2-6-19(18)28-35(31,32)21-10-8-16(13-26-21)27-23(30)34-14-17-4-3-11-33-17/h1-2,5-10,12-13,17,28H,3-4,11,14H2,(H,27,30).
What are the key properties of oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate?
oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate has a molecular weight of 500.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-[6-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 58664933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).