(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

C24H26Cl2N6O8S2 — CID 87512350

IUPAC(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESC[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.C[C@]1(CS(=O)(=O)N2CCc3cc(-c4ccc(Cl)cc4)ncc3C2)NC(=O)NC1=O
InChIInChI=1S/C19H19ClN4O4S.C5H7ClN2O4S/c1-19(17(25)22-18(26)23-19)11-29(27,28)24-7-6-13-8-16(21-9-14(13)10-24)12-2-4-15(20)5-3-12;1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2-5,8-9H,6-7,10-11H2,1H3,(H2,22,23,25,26);2H2,1H3,(H2,7,8,9,10)/t19-;5-/m11/s1
InChIKeyARDXHQVFYKQTSD-CDVFAHIUSA-N
MW661.55 g/mol
LogP0.84
Rot. Bonds6

About (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (PubChem CID 87512350) has the molecular formula C24H26Cl2N6O8S2 and a molecular weight of 661.55 g/mol. Its IUPAC name is (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
PubChem CID87512350
Molecular FormulaC24H26Cl2N6O8S2
Molecular Weight661.55 g/mol
Exact Mass660.06
IUPAC Name(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESC[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.C[C@]1(CS(=O)(=O)N2CCc3cc(-c4ccc(Cl)cc4)ncc3C2)NC(=O)NC1=O
InChIInChI=1S/C19H19ClN4O4S.C5H7ClN2O4S/c1-19(17(25)22-18(26)23-19)11-29(27,28)24-7-6-13-8-16(21-9-14(13)10-24)12-2-4-15(20)5-3-12;1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2-5,8-9H,6-7,10-11H2,1H3,(H2,22,23,25,26);2H2,1H3,(H2,7,8,9,10)/t19-;5-/m11/s1
InChIKeyARDXHQVFYKQTSD-CDVFAHIUSA-N
XLogP0.84
TPSA200.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.55
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The IUPAC name of (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (CID 87512350) is (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.
What is the SMILES notation for (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The canonical SMILES for (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is C[C@]1(CS(=O)(=O)Cl)NC(=O)NC1=O.C[C@]1(CS(=O)(=O)N2CCc3cc(-c4ccc(Cl)cc4)ncc3C2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The InChIKey is ARDXHQVFYKQTSD-CDVFAHIUSA-N. The full InChI is InChI=1S/C19H19ClN4O4S.C5H7ClN2O4S/c1-19(17(25)22-18(26)23-19)11-29(27,28)24-7-6-13-8-16(21-9-14(13)10-24)12-2-4-15(20)5-3-12;1-5(2-13(6,11)12)3(9)7-4(10)8-5/h2-5,8-9H,6-7,10-11H2,1H3,(H2,22,23,25,26);2H2,1H3,(H2,7,8,9,10)/t19-;5-/m11/s1.
What are the key properties of (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
(5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride has a molecular weight of 661.55 g/mol, XLogP of 0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[6-(4-chlorophenyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione;[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 87512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).