N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide

C15H20FN3O5S2 — CID 75458245

IUPACN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2(C#N)CCOC2)cc1F
InChIInChI=1S/C15H20FN3O5S2/c1-3-8-25(20,21)18-14-5-4-12(9-13(14)16)26(22,23)19(2)15(10-17)6-7-24-11-15/h4-5,9,18H,3,6-8,11H2,1-2H3
InChIKeyOVUQEMPYRQXXLE-UHFFFAOYSA-N
MW405.47 g/mol
LogP1.28
Rot. Bonds7

About N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide

N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide (PubChem CID 75458245) has the molecular formula C15H20FN3O5S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
PubChem CID75458245
Molecular FormulaC15H20FN3O5S2
Molecular Weight405.47 g/mol
Exact Mass405.08
IUPAC NameN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2(C#N)CCOC2)cc1F
InChIInChI=1S/C15H20FN3O5S2/c1-3-8-25(20,21)18-14-5-4-12(9-13(14)16)26(22,23)19(2)15(10-17)6-7-24-11-15/h4-5,9,18H,3,6-8,11H2,1-2H3
InChIKeyOVUQEMPYRQXXLE-UHFFFAOYSA-N
XLogP1.28
TPSA116.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The IUPAC name of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide (CID 75458245) is N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The canonical SMILES for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)C2(C#N)CCOC2)cc1F.
What is the InChIKey of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide?
The InChIKey is OVUQEMPYRQXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O5S2/c1-3-8-25(20,21)18-14-5-4-12(9-13(14)16)26(22,23)19(2)15(10-17)6-7-24-11-15/h4-5,9,18H,3,6-8,11H2,1-2H3.
What are the key properties of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide?
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 75458245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).