benzenesulfonamide;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

C66H112N6O6S2 — CID 160524782

IUPACbenzenesulfonamide;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
SMILESC1CC2C3CCC(O3)C2C1.C1CC2CCC1O2.CC.CC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C8H7N.C6H7NO2S.C6H10O.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.9C2H6/c1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)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/h6-9H,1-5H2;1-6,9H;1-5H,(H2,7,8,9);5-6H,1-4H2;1-5H;1-5H;1-4H;2*1-3H;9*1-2H3
InChIKeyQUTCBZCKABFNEW-UHFFFAOYSA-N
MW1149.79 g/mol
LogP20.22
Rot. Bonds1

About benzenesulfonamide;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

benzenesulfonamide;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 (PubChem CID 160524782) has the molecular formula C66H112N6O6S2 and a molecular weight of 1149.79 g/mol. Its IUPAC name is benzenesulfonamide;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.

Molecular Properties

Compound Namebenzenesulfonamide;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
PubChem CID160524782
Molecular FormulaC66H112N6O6S2
Molecular Weight1149.79 g/mol
Exact Mass1148.81
IUPAC Namebenzenesulfonamide;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
SMILESC1CC2C3CCC(O3)C2C1.C1CC2CCC1O2.CC.CC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1
InChIInChI=1S/C9H14O.C8H7N.C6H7NO2S.C6H10O.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.9C2H6/c1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)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/h6-9H,1-5H2;1-6,9H;1-5H,(H2,7,8,9);5-6H,1-4H2;1-5H;1-5H;1-4H;2*1-3H;9*1-2H3
InChIKeyQUTCBZCKABFNEW-UHFFFAOYSA-N
XLogP20.22
TPSA175.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.79
LogP ≤ 520.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze benzenesulfonamide;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 with MolForge

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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
aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157320512
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
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;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
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 159200026
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 159292563
benzenesulfonamide;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;1,3-thiazole
CID 160247024
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;oxane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;oxolane;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 160303481

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;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?
The IUPAC name of benzenesulfonamide;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 160524782) is benzenesulfonamide;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.
What is the SMILES notation for benzenesulfonamide;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?
The canonical SMILES for benzenesulfonamide;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 is C1CC2C3CCC(O3)C2C1.C1CC2CCC1O2.CC.CC.CC.CC.CC.CC.CC.CC.CC.NS(=O)(=O)c1ccccc1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccncc1.c1ccoc1.c1cocn1.c1cscn1.
What is the InChIKey of benzenesulfonamide;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?
The InChIKey is QUTCBZCKABFNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C8H7N.C6H7NO2S.C6H10O.C5H5N.C4H5N.C4H4O.C3H3NO.C3H3NS.9C2H6/c1-2-6-7(3-1)9-5-4-8(6)10-9;1-2-4-8-7(3-1)5-6-9-8;7-10(8,9)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/h6-9H,1-5H2;1-6,9H;1-5H,(H2,7,8,9);5-6H,1-4H2;1-5H;1-5H;1-4H;2*1-3H;9*1-2H3.
What are the key properties of benzenesulfonamide;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?
benzenesulfonamide;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 has a molecular weight of 1149.79 g/mol, XLogP of 20.22, 1 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;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 is sourced from PubChem (CID 160524782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).