1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide

C12H18N2O3S — CID 111496549

IUPAC1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(CCCCO)CC2
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2,(H2,13,16,17)
InChIKeyMCKBOVUPKYMJEZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.47
Rot. Bonds5

About 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide

1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 111496549) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID111496549
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(CCCCO)CC2
InChIInChI=1S/C12H18N2O3S/c13-18(16,17)11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2,(H2,13,16,17)
InChIKeyMCKBOVUPKYMJEZ-UHFFFAOYSA-N
XLogP0.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide 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

1-(4-cyanobutyl)-2,3-dihydroindole-6-sulfonamide
CID 71986862
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575
N-(1,2-diphenylethyl)-2-(6-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 86974732
1-(1,3-benzothiazol-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide
CID 56792914
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-N,1-N-diethyl-2,3-dihydroindole-1,6-disulfonamide
CID 56806249
1-hexa-2,4-dienoyl-2,3-dihydroindole-6-sulfonamide
CID 154748876
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
CID 55279318
1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 71971133
1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide
CID 138049346
2-[6-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]acetic acid;hydrochloride
CID 119922066

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide (CID 111496549) is 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(CCCCO)CC2.
What is the InChIKey of 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MCKBOVUPKYMJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-18(16,17)11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2,(H2,13,16,17).
What are the key properties of 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide?
1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 111496549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).