N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide

C30H26N4O4S — CID 18780314

IUPACN-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide
SMILESCn1cc(C2=C(c3cn(CCCNS(=O)(=O)c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H26N4O4S/c1-33-18-23(21-12-5-7-14-25(21)33)27-28(30(36)32-29(27)35)24-19-34(26-15-8-6-13-22(24)26)17-9-16-31-39(37,38)20-10-3-2-4-11-20/h2-8,10-15,18-19,31H,9,16-17H2,1H3,(H,32,35,36)
InChIKeyOSLNLKDGUXJGOX-UHFFFAOYSA-N
MW538.63 g/mol
LogP4.07
Rot. Bonds8

About N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide

N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide (PubChem CID 18780314) has the molecular formula C30H26N4O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide
PubChem CID18780314
Molecular FormulaC30H26N4O4S
Molecular Weight538.63 g/mol
Exact Mass538.17
IUPAC NameN-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide
SMILESCn1cc(C2=C(c3cn(CCCNS(=O)(=O)c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C30H26N4O4S/c1-33-18-23(21-12-5-7-14-25(21)33)27-28(30(36)32-29(27)35)24-19-34(26-15-8-6-13-22(24)26)17-9-16-31-39(37,38)20-10-3-2-4-11-20/h2-8,10-15,18-19,31H,9,16-17H2,1H3,(H,32,35,36)
InChIKeyOSLNLKDGUXJGOX-UHFFFAOYSA-N
XLogP4.07
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.63
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide (CID 18780314) is N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide is Cn1cc(C2=C(c3cn(CCCNS(=O)(=O)c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide?
The InChIKey is OSLNLKDGUXJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4S/c1-33-18-23(21-12-5-7-14-25(21)33)27-28(30(36)32-29(27)35)24-19-34(26-15-8-6-13-22(24)26)17-9-16-31-39(37,38)20-10-3-2-4-11-20/h2-8,10-15,18-19,31H,9,16-17H2,1H3,(H,32,35,36).
What are the key properties of N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide?
N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide has a molecular weight of 538.63 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 18780314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).