aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

C55H89N7O4S2 — CID 157320512

IUPACaniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.Nc1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C6H7NO2S.C6H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.8C2H6/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;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;8*1-2/h1-6,9H;1-5H,(H2,7,8,9);1-5H,7H2;1-5H;1-5H;1-4H;2*1-3H;8*1-2H3
InChIKeyBECLAQLJPCZUIF-UHFFFAOYSA-N
MW976.50 g/mol
LogP17.17
Rot. Bonds1

About aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole

aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (PubChem CID 157320512) has the molecular formula C55H89N7O4S2 and a molecular weight of 976.50 g/mol. Its IUPAC name is aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Nameaniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
PubChem CID157320512
Molecular FormulaC55H89N7O4S2
Molecular Weight976.50 g/mol
Exact Mass975.64
IUPAC Nameaniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.Nc1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H7N.C6H7NO2S.C6H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.8C2H6/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;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;8*1-2/h1-6,9H;1-5H,(H2,7,8,9);1-5H,7H2;1-5H;1-5H;1-4H;2*1-3H;8*1-2H3
InChIKeyBECLAQLJPCZUIF-UHFFFAOYSA-N
XLogP17.17
TPSA182.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.50
LogP ≤ 517.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157074292
bis(tert-butylbenzene);bis(1-tert-butylcyclopenta-1,3-diene);2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylindole;3-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butylthiophene
CID 157219118
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 157670644
1,3-benzothiazole;2,3-dihydro-1H-benzimidazole;furan;methane;1,3-oxazole;quinoline;1,3-thiazole;thiophene
CID 157782432
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157879397
tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)
CID 158337561
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 158457699
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 158872488
ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 158958592
3-[[3-[3-(furan-2-ylsulfonylmethyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-oxazole;3-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole;4-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,3-thiazole;5-[[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]methylsulfonyl]-1,2-thiazole
CID 159141217

Frequently Asked Questions

What is the IUPAC name of aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The IUPAC name of aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole (CID 157320512) is aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The canonical SMILES for aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is 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;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
The InChIKey is BECLAQLJPCZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C6H7NO2S.C6H7N.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.8C2H6/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;1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1;8*1-2/h1-6,9H;1-5H,(H2,7,8,9);1-5H,7H2;1-5H;1-5H;1-4H;2*1-3H;8*1-2H3.
What are the key properties of aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole?
aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole has a molecular weight of 976.50 g/mol, XLogP of 17.17, 1 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 157320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).