4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride

C15H23ClN4O5S — CID 120824957

IUPAC4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-9(16-3)8-17-25(22,23)10-5-6-12(24-4)11(7-10)15(2)13(20)18-14(21)19-15;/h5-7,9,16-17H,8H2,1-4H3,(H2,18,19,20,21);1H
InChIKeyHBSHLURAKQIFJQ-UHFFFAOYSA-N
MW406.89 g/mol
LogP0.06
Rot. Bonds7

About 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride

4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120824957) has the molecular formula C15H23ClN4O5S and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120824957
Molecular FormulaC15H23ClN4O5S
Molecular Weight406.89 g/mol
Exact Mass406.11
IUPAC Name4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C15H22N4O5S.ClH/c1-9(16-3)8-17-25(22,23)10-5-6-12(24-4)11(7-10)15(2)13(20)18-14(21)19-15;/h5-7,9,16-17H,8H2,1-4H3,(H2,18,19,20,21);1H
InChIKeyHBSHLURAKQIFJQ-UHFFFAOYSA-N
XLogP0.06
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride
CID 120664813
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974457
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119960766
4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968701
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride (CID 120824957) is 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.Cl.
What is the InChIKey of 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is HBSHLURAKQIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S.ClH/c1-9(16-3)8-17-25(22,23)10-5-6-12(24-4)11(7-10)15(2)13(20)18-14(21)19-15;/h5-7,9,16-17H,8H2,1-4H3,(H2,18,19,20,21);1H.
What are the key properties of 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride?
4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 406.89 g/mol, XLogP of 0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methylamino)propyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).