3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide

C26H28N4O4S — CID 66834322

IUPAC3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(cc1OC1CCNCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H28N4O4S/c1-26(2)19-13-21(34-16-7-9-28-10-8-16)22(35(32,33)30(3)4)12-18(19)24(31)23-17-6-5-15(14-27)11-20(17)29-25(23)26/h5-6,11-13,16,28-29H,7-10H2,1-4H3
InChIKeyCLSWBVCRQWPFIU-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.29
Rot. Bonds4

About 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide

3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide (PubChem CID 66834322) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide.

Molecular Properties

Compound Name3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide
PubChem CID66834322
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC Name3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2c(cc1OC1CCNCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
InChIInChI=1S/C26H28N4O4S/c1-26(2)19-13-21(34-16-7-9-28-10-8-16)22(35(32,33)30(3)4)12-18(19)24(31)23-17-6-5-15(14-27)11-20(17)29-25(23)26/h5-6,11-13,16,28-29H,7-10H2,1-4H3
InChIKeyCLSWBVCRQWPFIU-UHFFFAOYSA-N
XLogP3.29
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide?
The IUPAC name of 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide (CID 66834322) is 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide.
What is the SMILES notation for 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide?
The canonical SMILES for 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide is CN(C)S(=O)(=O)c1cc2c(cc1OC1CCNCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.
What is the InChIKey of 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide?
The InChIKey is CLSWBVCRQWPFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-26(2)19-13-21(34-16-7-9-28-10-8-16)22(35(32,33)30(3)4)12-18(19)24(31)23-17-6-5-15(14-27)11-20(17)29-25(23)26/h5-6,11-13,16,28-29H,7-10H2,1-4H3.
What are the key properties of 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide?
3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide has a molecular weight of 492.60 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N,6,6-tetramethyl-11-oxo-8-piperidin-4-yloxy-5H-benzo[b]carbazole-9-sulfonamide is sourced from PubChem (CID 66834322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).