N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide

C19H21F2N3O3S — CID 25160688

IUPACN-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O3S/c1-11(2)28(26,27)24-17-10-22-19(25)23-18(17)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)21/h3-9,11,17-18,24H,10H2,1-2H3,(H2,22,23,25)
InChIKeyHDSRXLIDMNNQRZ-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.68
Rot. Bonds5

About N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide

N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide (PubChem CID 25160688) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide
PubChem CID25160688
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CNC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F2N3O3S/c1-11(2)28(26,27)24-17-10-22-19(25)23-18(17)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)21/h3-9,11,17-18,24H,10H2,1-2H3,(H2,22,23,25)
InChIKeyHDSRXLIDMNNQRZ-UHFFFAOYSA-N
XLogP2.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide (CID 25160688) is N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CNC(=O)NC1c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide?
The InChIKey is HDSRXLIDMNNQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-11(2)28(26,27)24-17-10-22-19(25)23-18(17)13-5-3-12(4-6-13)15-8-7-14(20)9-16(15)21/h3-9,11,17-18,24H,10H2,1-2H3,(H2,22,23,25).
What are the key properties of N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide?
N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide has a molecular weight of 409.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenyl)phenyl]-2-oxo-1,3-diazinan-5-yl]propane-2-sulfonamide is sourced from PubChem (CID 25160688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).