4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide

C11H15ClN2O3S — CID 82166330

IUPAC4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2
InChIInChI=1S/C11H15ClN2O3S/c1-2-14-18(15,16)7-5-8-10(13)3-4-17-11(8)9(12)6-7/h5-6,10,14H,2-4,13H2,1H3
InChIKeyVXVIUJPLXJZKQL-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.42
Rot. Bonds3

About 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide

4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 82166330) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID82166330
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2
InChIInChI=1S/C11H15ClN2O3S/c1-2-14-18(15,16)7-5-8-10(13)3-4-17-11(8)9(12)6-7/h5-6,10,14H,2-4,13H2,1H3
InChIKeyVXVIUJPLXJZKQL-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide (CID 82166330) is 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide is CCNS(=O)(=O)c1cc(Cl)c2c(c1)C(N)CCO2.
What is the InChIKey of 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is VXVIUJPLXJZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-14-18(15,16)7-5-8-10(13)3-4-17-11(8)9(12)6-7/h5-6,10,14H,2-4,13H2,1H3.
What are the key properties of 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide?
4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 82166330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).