N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C21H22N2O3S — CID 20946210

IUPACN-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1ccccc1)CCCC3=O
InChIInChI=1S/C21H22N2O3S/c1-2-15-11-16-18(23-17-9-6-10-19(24)21(16)17)12-20(15)27(25,26)22-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,22-23H,2,6,9-10,13H2,1H3
InChIKeyOLHJIHIDZYPYSW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.73
Rot. Bonds5

About N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20946210) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20946210
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1ccccc1)CCCC3=O
InChIInChI=1S/C21H22N2O3S/c1-2-15-11-16-18(23-17-9-6-10-19(24)21(16)17)12-20(15)27(25,26)22-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,22-23H,2,6,9-10,13H2,1H3
InChIKeyOLHJIHIDZYPYSW-UHFFFAOYSA-N
XLogP3.73
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20946210) is N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)NCc1ccccc1)CCCC3=O.
What is the InChIKey of N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is OLHJIHIDZYPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-15-11-16-18(23-17-9-6-10-19(24)21(16)17)12-20(15)27(25,26)22-13-14-7-4-3-5-8-14/h3-5,7-8,11-12,22-23H,2,6,9-10,13H2,1H3.
What are the key properties of N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20946210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).