7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride

C12H14ClNO3S — CID 102534153

IUPAC7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H14ClNO3S/c1-4-7-5-8(18(13,16)17)6-9-10(7)14-11(15)12(9,2)3/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyXEODSCMMRITZIE-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.41
Rot. Bonds2

About 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride

7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride (PubChem CID 102534153) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride.

Molecular Properties

Compound Name7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
PubChem CID102534153
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C12H14ClNO3S/c1-4-7-5-8(18(13,16)17)6-9-10(7)14-11(15)12(9,2)3/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyXEODSCMMRITZIE-UHFFFAOYSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The IUPAC name of 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride (CID 102534153) is 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride.
What is the SMILES notation for 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The canonical SMILES for 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride is CCc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
The InChIKey is XEODSCMMRITZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-4-7-5-8(18(13,16)17)6-9-10(7)14-11(15)12(9,2)3/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride?
7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonyl chloride is sourced from PubChem (CID 102534153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).