6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide

C11H14ClNO2S — CID 125454927

IUPAC6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCNS(=O)(=O)c1cc2c(cc1Cl)CCC2
InChIInChI=1S/C11H14ClNO2S/c1-2-13-16(14,15)11-7-9-5-3-4-8(9)6-10(11)12/h6-7,13H,2-5H2,1H3
InChIKeyYXWAFQJXEZEXIG-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.13
Rot. Bonds3

About 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide

6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 125454927) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID125454927
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCNS(=O)(=O)c1cc2c(cc1Cl)CCC2
InChIInChI=1S/C11H14ClNO2S/c1-2-13-16(14,15)11-7-9-5-3-4-8(9)6-10(11)12/h6-7,13H,2-5H2,1H3
InChIKeyYXWAFQJXEZEXIG-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide (CID 125454927) is 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide is CCNS(=O)(=O)c1cc2c(cc1Cl)CCC2.
What is the InChIKey of 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is YXWAFQJXEZEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-13-16(14,15)11-7-9-5-3-4-8(9)6-10(11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide?
6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 259.76 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 125454927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).