aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

C63H105N7O5S2 — CID 157074292

About aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (PubChem CID 157074292) has the molecular formula C63H105N7O5S2 and a molecular weight of 1104.71 g/mol. Its IUPAC name is aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.

Molecular Properties

• Compound Name: aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
• PubChem CID: 157074292
• Molecular Formula: C63H105N7O5S2
• Molecular Weight: 1104.71 g/mol
• Exact Mass: 1103.76
• IUPAC Name: aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
• SMILES: C1CC2CCC1O2.CC.CC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.Nc1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
• InChI: InChI=1S/C8H7N.C6H7NO2S.C6H7N.C6H10O.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.9C2H6/c1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-2-6-4-3-5(1)7-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;9*1-2/h1-6,9H;1-5H,(H2,7,8,9);1-5H,7H2;5-6H,1-4H2;1-5H;1-5H;1-4H;2*1-3H;9*1-2H3
• InChIKey: ACUFOESLOJCUFG-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 191.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.71
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?

The IUPAC name of aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (CID 157074292) is aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.

What is the SMILES notation for aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?

The canonical SMILES for aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is C1CC2CCC1O2.CC.CC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.Nc1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1.

What is the InChIKey of aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?

The InChIKey is ACUFOESLOJCUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C6H7NO2S.C6H7N.C6H10O.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.9C2H6/c1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6;1-2-6-4-3-5(1)7-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;9*1-2/h1-6,9H;1-5H,(H2,7,8,9);1-5H,7H2;5-6H,1-4H2;1-5H;1-5H;1-4H;2*1-3H;9*1-2H3.

What are the key properties of aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?

aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole has a molecular weight of 1104.71 g/mol, XLogP of 19.53, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 157074292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).