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

C13H18ClNO2S — CID 83179764

IUPACN-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CCCl)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18ClNO2S/c1-10(7-8-14)15-18(16,17)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyYBSVAWZYJZHAFH-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.47
Rot. Bonds5

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

N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 83179764) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID83179764
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CCCl)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18ClNO2S/c1-10(7-8-14)15-18(16,17)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyYBSVAWZYJZHAFH-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79267831
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 83179764) is N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(CCCl)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is YBSVAWZYJZHAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(7-8-14)15-18(16,17)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 287.81 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 83179764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).