2H-chromene-2-sulfonamide

C9H9NO3S — CID 70389536

IUPAC2H-chromene-2-sulfonamide
SMILESNS(=O)(=O)C1C=Cc2ccccc2O1
InChIInChI=1S/C9H9NO3S/c10-14(11,12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,9H,(H2,10,11,12)
InChIKeySHUISQRUFQZKOP-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.71
Rot. Bonds1

About 2H-chromene-2-sulfonamide

2H-chromene-2-sulfonamide (PubChem CID 70389536) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 2H-chromene-2-sulfonamide.

Molecular Properties

Compound Name2H-chromene-2-sulfonamide
PubChem CID70389536
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name2H-chromene-2-sulfonamide
SMILESNS(=O)(=O)C1C=Cc2ccccc2O1
InChIInChI=1S/C9H9NO3S/c10-14(11,12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,9H,(H2,10,11,12)
InChIKeySHUISQRUFQZKOP-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene-2-sulfonamide?
The IUPAC name of 2H-chromene-2-sulfonamide (CID 70389536) is 2H-chromene-2-sulfonamide.
What is the SMILES notation for 2H-chromene-2-sulfonamide?
The canonical SMILES for 2H-chromene-2-sulfonamide is NS(=O)(=O)C1C=Cc2ccccc2O1.
What is the InChIKey of 2H-chromene-2-sulfonamide?
The InChIKey is SHUISQRUFQZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c10-14(11,12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,9H,(H2,10,11,12).
What are the key properties of 2H-chromene-2-sulfonamide?
2H-chromene-2-sulfonamide has a molecular weight of 211.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene-2-sulfonamide is sourced from PubChem (CID 70389536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).