5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide

C10H13NO4S — CID 91142741

IUPAC5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c2c1CCCO2
InChIInChI=1S/C10H13NO4S/c1-14-8-4-5-9(16(11,12)13)10-7(8)3-2-6-15-10/h4-5H,2-3,6H2,1H3,(H2,11,12,13)
InChIKeyKKDSTMFXAHUYLD-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.67
Rot. Bonds2

About 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide

5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 91142741) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID91142741
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c2c1CCCO2
InChIInChI=1S/C10H13NO4S/c1-14-8-4-5-9(16(11,12)13)10-7(8)3-2-6-15-10/h4-5H,2-3,6H2,1H3,(H2,11,12,13)
InChIKeyKKDSTMFXAHUYLD-UHFFFAOYSA-N
XLogP0.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide (CID 91142741) is 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide is COc1ccc(S(N)(=O)=O)c2c1CCCO2.
What is the InChIKey of 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is KKDSTMFXAHUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-14-8-4-5-9(16(11,12)13)10-7(8)3-2-6-15-10/h4-5H,2-3,6H2,1H3,(H2,11,12,13).
What are the key properties of 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide?
5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 243.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 91142741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).