N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide

C15H19NO2S — CID 113255945

IUPACN-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2S/c1-2-3-4-5-11-16-19(17,18)15-10-9-13-7-6-8-14(13)12-15/h1,9-10,12,16H,3-8,11H2
InChIKeyZIQPWJIQXKTMTM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.26
Rot. Bonds6

About N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide

N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 113255945) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID113255945
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2S/c1-2-3-4-5-11-16-19(17,18)15-10-9-13-7-6-8-14(13)12-15/h1,9-10,12,16H,3-8,11H2
InChIKeyZIQPWJIQXKTMTM-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-2,3-dihydro-1H-indene-5-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

N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
3,4-difluoro-N-hex-5-ynylbenzenesulfonamide
CID 113255956
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890929

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide (CID 113255945) is N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide is C#CCCCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is ZIQPWJIQXKTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-2-3-4-5-11-16-19(17,18)15-10-9-13-7-6-8-14(13)12-15/h1,9-10,12,16H,3-8,11H2.
What are the key properties of N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide?
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 113255945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).