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

C22H24N2O3S — CID 20945982

IUPACN-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3
InChIInChI=1S/C22H24N2O3S/c1-3-24(14-16-8-5-4-6-9-16)28(26,27)21-13-19-17(12-15(21)2)22-18(23-19)10-7-11-20(22)25/h4-6,8-9,12-13,23H,3,7,10-11,14H2,1-2H3
InChIKeyCDCWFPXYITZECK-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.21
Rot. Bonds5

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

N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20945982) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20945982
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3
InChIInChI=1S/C22H24N2O3S/c1-3-24(14-16-8-5-4-6-9-16)28(26,27)21-13-19-17(12-15(21)2)22-18(23-19)10-7-11-20(22)25/h4-6,8-9,12-13,23H,3,7,10-11,14H2,1-2H3
InChIKeyCDCWFPXYITZECK-UHFFFAOYSA-N
XLogP4.21
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20945982) is N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3.
What is the InChIKey of N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is CDCWFPXYITZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-3-24(14-16-8-5-4-6-9-16)28(26,27)21-13-19-17(12-15(21)2)22-18(23-19)10-7-11-20(22)25/h4-6,8-9,12-13,23H,3,7,10-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20945982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).