4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide

C12H14N2O2S — CID 57182120

IUPAC4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide
SMILESNS(=O)(=O)C1=CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2O2S/c13-17(15,16)11-7-3-6-10-12(11)8-4-1-2-5-9(8)14-10/h1-10,12,14H,(H2,13,15,16)
InChIKeySERFYGPYWASFDF-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.43
Rot. Bonds1

About 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide

4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide (PubChem CID 57182120) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide.

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide
PubChem CID57182120
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide
SMILESNS(=O)(=O)C1=CC=CC2NC3C=CC=CC3C12
InChIInChI=1S/C12H14N2O2S/c13-17(15,16)11-7-3-6-10-12(11)8-4-1-2-5-9(8)14-10/h1-10,12,14H,(H2,13,15,16)
InChIKeySERFYGPYWASFDF-UHFFFAOYSA-N
XLogP0.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide 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 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide (CID 57182120) is 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide.
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide is NS(=O)(=O)C1=CC=CC2NC3C=CC=CC3C12.
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide?
The InChIKey is SERFYGPYWASFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-17(15,16)11-7-3-6-10-12(11)8-4-1-2-5-9(8)14-10/h1-10,12,14H,(H2,13,15,16).
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide?
4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-carbazole-4-sulfonamide is sourced from PubChem (CID 57182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).