N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide

C14H20ClNO2S — CID 106135464

IUPACN-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20ClNO2S/c1-11(15)4-3-9-16-19(17,18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,16H,2-6,9H2,1H3
InChIKeyGLAUSLVFOIZIEP-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.86
Rot. Bonds6

About N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 106135464) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID106135464
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20ClNO2S/c1-11(15)4-3-9-16-19(17,18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,16H,2-6,9H2,1H3
InChIKeyGLAUSLVFOIZIEP-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65031254
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 106135464) is N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(Cl)CCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is GLAUSLVFOIZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-11(15)4-3-9-16-19(17,18)14-8-7-12-5-2-6-13(12)10-14/h7-8,10-11,16H,2-6,9H2,1H3.
What are the key properties of N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 301.84 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 106135464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).