2H-chromene-3-sulfonyl chloride

C9H7ClO3S — CID 47003548

IUPAC2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2ccccc2OC1
InChIInChI=1S/C9H7ClO3S/c10-14(11,12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2
InChIKeyXGCKSIZJWKXGMW-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.99
Rot. Bonds1

About 2H-chromene-3-sulfonyl chloride

2H-chromene-3-sulfonyl chloride (PubChem CID 47003548) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 2H-chromene-3-sulfonyl chloride.

Molecular Properties

Compound Name2H-chromene-3-sulfonyl chloride
PubChem CID47003548
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name2H-chromene-3-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=Cc2ccccc2OC1
InChIInChI=1S/C9H7ClO3S/c10-14(11,12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2
InChIKeyXGCKSIZJWKXGMW-UHFFFAOYSA-N
XLogP1.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene-3-sulfonyl chloride?
The IUPAC name of 2H-chromene-3-sulfonyl chloride (CID 47003548) is 2H-chromene-3-sulfonyl chloride.
What is the SMILES notation for 2H-chromene-3-sulfonyl chloride?
The canonical SMILES for 2H-chromene-3-sulfonyl chloride is O=S(=O)(Cl)C1=Cc2ccccc2OC1.
What is the InChIKey of 2H-chromene-3-sulfonyl chloride?
The InChIKey is XGCKSIZJWKXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c10-14(11,12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2.
What are the key properties of 2H-chromene-3-sulfonyl chloride?
2H-chromene-3-sulfonyl chloride has a molecular weight of 230.67 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene-3-sulfonyl chloride is sourced from PubChem (CID 47003548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).