1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride

C10H11ClO2S — CID 164654698

IUPAC1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
SMILESCC1c2ccccc2CC1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO2S/c1-7-9-5-3-2-4-8(9)6-10(7)14(11,12)13/h2-5,7,10H,6H2,1H3
InChIKeyONWCRZHDDBXQMN-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.28
Rot. Bonds1

About 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride

1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride (PubChem CID 164654698) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
PubChem CID164654698
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
SMILESCC1c2ccccc2CC1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO2S/c1-7-9-5-3-2-4-8(9)6-10(7)14(11,12)13/h2-5,7,10H,6H2,1H3
InChIKeyONWCRZHDDBXQMN-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
2-(2-methylphenyl)cyclopropane-1-sulfonyl chloride
CID 82368514
9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 154149942
(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
CID 822361
2-(2-methylsulfonylethylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64645809
2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64647447
[(1S,2S)-1-azaniumyl-2,3-dihydro-1H-inden-2-yl] sulfate
CID 59408283
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308
2,3-dihydro-1H-isoindole-1-sulfonyl chloride
CID 174934831

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride?
The IUPAC name of 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride (CID 164654698) is 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride.
What is the SMILES notation for 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride?
The canonical SMILES for 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride is CC1c2ccccc2CC1S(=O)(=O)Cl.
What is the InChIKey of 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride?
The InChIKey is ONWCRZHDDBXQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c1-7-9-5-3-2-4-8(9)6-10(7)14(11,12)13/h2-5,7,10H,6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride?
1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride has a molecular weight of 230.72 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride is sourced from PubChem (CID 164654698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).