3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide

C13H18ClNO2S — CID 107854554

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H18ClNO2S/c1-10(8-14)9-18(16,17)15-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyYSCDIBKQNVHTRD-UHFFFAOYSA-N
MW287.81 g/mol
LogP1.95
Rot. Bonds5

About 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide (PubChem CID 107854554) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
PubChem CID107854554
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H18ClNO2S/c1-10(8-14)9-18(16,17)15-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13,15H,6-9H2,1H3
InChIKeyYSCDIBKQNVHTRD-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

(+/-) Propane-2-sulfonic acid (2-phenyl-cyclopentyl)-amide
CID 10199241
cis-[(Methylethyl)sulfonyl](2-phenylcyclopentyl)amine
CID 11119059
N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
CID 21887329
N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 47129147
(+,-) Trans-propane-2-sulfonic Acid (2-phenyl-cyclopentyl)-amide
CID 10956500
N-[(1S,2S)-2-phenylcyclopentyl]propane-2-sulfonamide
CID 11747568
N-(2,3-dihydro-1H-inden-1-yl)-2-trimethylsilylethanesulfonamide
CID 102527691
N-[(2S)-1-amino-4-methylpentan-2-yl]-1-(2-methylphenyl)methanesulfonamide
CID 97238605
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 19365894
(S)-N-(5-(3-(chloromethyl)-5-(trifluoromethyl)benzyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 68155989
N-[5-[[3-(chloromethyl)-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68155990
N-(2,3-dihydro-1H-inden-1-yl)-1-fluoroethanesulfonamide
CID 140406347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide (CID 107854554) is 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide?
The InChIKey is YSCDIBKQNVHTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(8-14)9-18(16,17)15-13-6-11-4-2-3-5-12(11)7-13/h2-5,10,13,15H,6-9H2,1H3.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide has a molecular weight of 287.81 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 107854554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).