(4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride

C40H47ClN6O8S2 — CID 160879512

About (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride

(4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride (PubChem CID 160879512) has the molecular formula C40H47ClN6O8S2 and a molecular weight of 839.44 g/mol. Its IUPAC name is (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride.

Molecular Properties

• Compound Name: (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride
• PubChem CID: 160879512
• Molecular Formula: C40H47ClN6O8S2
• Molecular Weight: 839.44 g/mol
• Exact Mass: 838.26
• IUPAC Name: (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride
• SMILES: C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(N)c1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(NS(N)(=O)=O)c1.NS(=O)(=O)Cl
• InChI: InChI=1S/C20H23N3O4S.C20H22N2O2.ClH2NO2S/c1-11-6-7-15(9-17(11)22-28(21,25)26)19-14(4)20(24)23(19)16-8-12(2)13(3)18(10-16)27-5;1-11-6-7-15(9-17(11)21)19-14(4)20(23)22(19)16-8-12(2)13(3)18(10-16)24-5;1-5(2,3)4/h6-10,19,22H,4H2,1-3,5H3,(H2,21,25,26);6-10,19H,4,21H2,1-3,5H3;(H2,2,3,4)/t2*19-;/m11./s1
• InChIKey: SMVTWUXVDQSDFL-WXMGBDCWSA-N
• XLogP: 6.16
• TPSA: 217.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.44
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride?

The IUPAC name of (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride (CID 160879512) is (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride.

What is the SMILES notation for (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride?

The canonical SMILES for (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride is C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(N)c1.C=C1C(=O)N(c2cc(C)c(C)c(OC)c2)[C@H]1c1ccc(C)c(NS(N)(=O)=O)c1.NS(=O)(=O)Cl.

What is the InChIKey of (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride?

The InChIKey is SMVTWUXVDQSDFL-WXMGBDCWSA-N. The full InChI is InChI=1S/C20H23N3O4S.C20H22N2O2.ClH2NO2S/c1-11-6-7-15(9-17(11)22-28(21,25)26)19-14(4)20(24)23(19)16-8-12(2)13(3)18(10-16)27-5;1-11-6-7-15(9-17(11)21)19-14(4)20(23)22(19)16-8-12(2)13(3)18(10-16)24-5;1-5(2,3)4/h6-10,19,22H,4H2,1-3,5H3,(H2,21,25,26);6-10,19H,4,21H2,1-3,5H3;(H2,2,3,4)/t2*19-;/m11./s1.

What are the key properties of (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride?

(4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride has a molecular weight of 839.44 g/mol, XLogP of 6.16, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3-amino-4-methylphenyl)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylideneazetidin-2-one;(2S)-1-(3-methoxy-4,5-dimethylphenyl)-3-methylidene-2-[4-methyl-3-(sulfamoylamino)phenyl]-4-oxoazetidine;sulfamoyl chloride is sourced from PubChem (CID 160879512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).