2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride

C10H12ClNO2S — CID 84802969

IUPAC2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride
SMILESCCN1Cc2ccc(S(=O)(=O)Cl)cc2C1
InChIInChI=1S/C10H12ClNO2S/c1-2-12-6-8-3-4-10(15(11,13)14)5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyKCUAYJKMQUAQQN-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.95
Rot. Bonds2

About 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride

2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride (PubChem CID 84802969) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride
PubChem CID84802969
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride
SMILESCCN1Cc2ccc(S(=O)(=O)Cl)cc2C1
InChIInChI=1S/C10H12ClNO2S/c1-2-12-6-8-3-4-10(15(11,13)14)5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChIKeyKCUAYJKMQUAQQN-UHFFFAOYSA-N
XLogP1.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propanoyl-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
CID 82022988
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
CID 55279318
2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
CID 84717608
N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259
2-ethyl-1,3-dihydroisoindole-5,6-diol
CID 22365543
4-[4-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonyl chloride
CID 121464195
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
5-chloro-2-propyl-1,3-dihydroisoindole
CID 178136762
2-benzyl-3-oxo-1H-isoindole-5-sulfonyl chloride
CID 53435689
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
2-[(1R)-1-(5-ethoxypyrazin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
CID 118262886
1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
CID 84705466

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride?
The IUPAC name of 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride (CID 84802969) is 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride is CCN1Cc2ccc(S(=O)(=O)Cl)cc2C1.
What is the InChIKey of 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride?
The InChIKey is KCUAYJKMQUAQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-2-12-6-8-3-4-10(15(11,13)14)5-9(8)7-12/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride?
2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride has a molecular weight of 245.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride is sourced from PubChem (CID 84802969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).