4-(2,3-dihydroindol-1-ylsulfonyl)aniline

C14H14N2O2S — CID 576320

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKeyXKBHHJLZPOQOFS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylsulfonyl)aniline

4-(2,3-dihydroindol-1-ylsulfonyl)aniline (PubChem CID 576320) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)aniline
PubChem CID576320
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKeyXKBHHJLZPOQOFS-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2,3-dihydroindol-1-ylsulfonyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
6-(Pyrrolidine-1-sulfonyl)-1,2,3,4-tetrahydroquinoline
CID 7064100
1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
5-(Morpholin-4-ylsulfonyl)indoline
CID 6486016
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline (CID 576320) is 4-(2,3-dihydroindol-1-ylsulfonyl)aniline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)aniline is Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The InChIKey is XKBHHJLZPOQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
4-(2,3-dihydroindol-1-ylsulfonyl)aniline has a molecular weight of 274.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)aniline is sourced from PubChem (CID 576320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).