3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane

C11H15ClO3S — CID 123201735

IUPAC3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9ClO3S.C2H6/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9;1-2/h3-4,6H,1-2,5H2;1-2H3
InChIKeyZGGFNHMNWGWKQZ-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.97
Rot. Bonds1

About 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane

3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane (PubChem CID 123201735) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
PubChem CID123201735
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9ClO3S.C2H6/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9;1-2/h3-4,6H,1-2,5H2;1-2H3
InChIKeyZGGFNHMNWGWKQZ-UHFFFAOYSA-N
XLogP2.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
CID 116853389
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
3-(3,4-dihydro-2H-chromen-6-ylsulfonyl)propan-1-amine
CID 116853275
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
(3S,4S)-1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103880
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepane
CID 98781188
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane?
The IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane (CID 123201735) is 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane.
What is the SMILES notation for 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane?
The canonical SMILES for 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane is CC.O=S(=O)(Cl)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane?
The InChIKey is ZGGFNHMNWGWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S.C2H6/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9;1-2/h3-4,6H,1-2,5H2;1-2H3.
What are the key properties of 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane?
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane has a molecular weight of 262.76 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane is sourced from PubChem (CID 123201735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).