N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide

C18H21N3O3S — CID 110666780

IUPACN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18-19-12-4-13-21(18)17-9-7-16(8-10-17)20-25(23,24)14-11-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2,(H,19,22)
InChIKeyPGNWNAQNIKOVMB-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.59
Rot. Bonds6

About N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 110666780) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID110666780
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18-19-12-4-13-21(18)17-9-7-16(8-10-17)20-25(23,24)14-11-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2,(H,19,22)
InChIKeyPGNWNAQNIKOVMB-UHFFFAOYSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide (CID 110666780) is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide is O=C1NCCCN1c1ccc(NS(=O)(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is PGNWNAQNIKOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18-19-12-4-13-21(18)17-9-7-16(8-10-17)20-25(23,24)14-11-15-5-2-1-3-6-15/h1-3,5-10,20H,4,11-14H2,(H,19,22).
What are the key properties of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide?
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110666780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).