3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C22H24N2O3S — CID 20945966

IUPAC3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)NCC(C)c1ccccc1)CCCC3=O
InChIInChI=1S/C22H24N2O3S/c1-14-11-17-19(24-18-9-6-10-20(25)22(17)18)12-21(14)28(26,27)23-13-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,23-24H,6,9-10,13H2,1-2H3
InChIKeyJXICLLSJOUSKHF-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.08
Rot. Bonds5

About 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20945966) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20945966
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)NCC(C)c1ccccc1)CCCC3=O
InChIInChI=1S/C22H24N2O3S/c1-14-11-17-19(24-18-9-6-10-20(25)22(17)18)12-21(14)28(26,27)23-13-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,23-24H,6,9-10,13H2,1-2H3
InChIKeyJXICLLSJOUSKHF-UHFFFAOYSA-N
XLogP4.08
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20945966) is 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCC(C)c1ccccc1)CCCC3=O.
What is the InChIKey of 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is JXICLLSJOUSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-11-17-19(24-18-9-6-10-20(25)22(17)18)12-21(14)28(26,27)23-13-15(2)16-7-4-3-5-8-16/h3-5,7-8,11-12,15,23-24H,6,9-10,13H2,1-2H3.
What are the key properties of 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20945966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).