(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide

C15H16N2O4S — CID 164522246

IUPAC(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide
SMILESC[C@@]1(C(N)=O)CCc2c(c3ccccc3n2S(C)(=O)=O)C1=O
InChIInChI=1S/C15H16N2O4S/c1-15(14(16)19)8-7-11-12(13(15)18)9-5-3-4-6-10(9)17(11)22(2,20)21/h3-6H,7-8H2,1-2H3,(H2,16,19)/t15-/m1/s1
InChIKeyQUWJLWQPSKOTBK-OAHLLOKOSA-N
MW320.37 g/mol
LogP1.07
Rot. Bonds2

About (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide

(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide (PubChem CID 164522246) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide
PubChem CID164522246
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide
SMILESC[C@@]1(C(N)=O)CCc2c(c3ccccc3n2S(C)(=O)=O)C1=O
InChIInChI=1S/C15H16N2O4S/c1-15(14(16)19)8-7-11-12(13(15)18)9-5-3-4-6-10(9)17(11)22(2,20)21/h3-6H,7-8H2,1-2H3,(H2,16,19)/t15-/m1/s1
InChIKeyQUWJLWQPSKOTBK-OAHLLOKOSA-N
XLogP1.07
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide?
The IUPAC name of (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide (CID 164522246) is (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide.
What is the SMILES notation for (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide?
The canonical SMILES for (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide is C[C@@]1(C(N)=O)CCc2c(c3ccccc3n2S(C)(=O)=O)C1=O.
What is the InChIKey of (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide?
The InChIKey is QUWJLWQPSKOTBK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-15(14(16)19)8-7-11-12(13(15)18)9-5-3-4-6-10(9)17(11)22(2,20)21/h3-6H,7-8H2,1-2H3,(H2,16,19)/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide?
(3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-9-methylsulfonyl-4-oxo-1,2-dihydrocarbazole-3-carboxamide is sourced from PubChem (CID 164522246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).