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

C13H18ClNO3S — CID 65031254

IUPACN-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18ClNO3S/c1-18-9-12(14)8-15-19(16,17)13-6-5-10-3-2-4-11(10)7-13/h5-7,12,15H,2-4,8-9H2,1H3
InChIKeyNRSPPMUJYOFFRM-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.71
Rot. Bonds6

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

N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 65031254) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID65031254
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18ClNO3S/c1-18-9-12(14)8-15-19(16,17)13-6-5-10-3-2-4-11(10)7-13/h5-7,12,15H,2-4,8-9H2,1H3
InChIKeyNRSPPMUJYOFFRM-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 65031254) is N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide is COCC(Cl)CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is NRSPPMUJYOFFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-18-9-12(14)8-15-19(16,17)13-6-5-10-3-2-4-11(10)7-13/h5-7,12,15H,2-4,8-9H2,1H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 65031254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).