N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide

C17H20N4O3S — CID 70605624

IUPACN,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(CC3NCC(=O)N3)cn2)cc1
InChIInChI=1S/C17H20N4O3S/c1-21(2)25(23,24)14-6-4-13(5-7-14)15-8-3-12(10-18-15)9-16-19-11-17(22)20-16/h3-8,10,16,19H,9,11H2,1-2H3,(H,20,22)
InChIKeyJCTVDZIWAPEERK-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.59
Rot. Bonds5

About N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide

N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 70605624) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide
PubChem CID70605624
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(CC3NCC(=O)N3)cn2)cc1
InChIInChI=1S/C17H20N4O3S/c1-21(2)25(23,24)14-6-4-13(5-7-14)15-8-3-12(10-18-15)9-16-19-11-17(22)20-16/h3-8,10,16,19H,9,11H2,1-2H3,(H,20,22)
InChIKeyJCTVDZIWAPEERK-UHFFFAOYSA-N
XLogP0.59
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide (CID 70605624) is N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2ccc(CC3NCC(=O)N3)cn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is JCTVDZIWAPEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-21(2)25(23,24)14-6-4-13(5-7-14)15-8-3-12(10-18-15)9-16-19-11-17(22)20-16/h3-8,10,16,19H,9,11H2,1-2H3,(H,20,22).
What are the key properties of N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide?
N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[(4-oxoimidazolidin-2-yl)methyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 70605624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).