N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide

C16H25NO3S — CID 32937376

IUPACN-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3S/c1-2-3-11-20-12-5-10-17-21(18,19)16-9-8-14-6-4-7-15(14)13-16/h8-9,13,17H,2-7,10-12H2,1H3
InChIKeyUNSLFUWBUMBCJZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.66
Rot. Bonds9

About N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 32937376) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID32937376
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3S/c1-2-3-11-20-12-5-10-17-21(18,19)16-9-8-14-6-4-7-15(14)13-16/h8-9,13,17H,2-7,10-12H2,1H3
InChIKeyUNSLFUWBUMBCJZ-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110604182
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 113101493
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 32937376) is N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide is CCCCOCCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is UNSLFUWBUMBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-3-11-20-12-5-10-17-21(18,19)16-9-8-14-6-4-7-15(14)13-16/h8-9,13,17H,2-7,10-12H2,1H3.
What are the key properties of N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 32937376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).