6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide

C15H14ClNO2S — CID 143337776

IUPAC6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide
SMILESO=S(Nc1ccccc1)c1cc(Cl)cc2c1OCCC2
InChIInChI=1S/C15H14ClNO2S/c16-12-9-11-5-4-8-19-15(11)14(10-12)20(18)17-13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8H2
InChIKeyVDOJOKXGUDWDLS-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.80
Rot. Bonds3

About 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide

6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide (PubChem CID 143337776) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide
PubChem CID143337776
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide
SMILESO=S(Nc1ccccc1)c1cc(Cl)cc2c1OCCC2
InChIInChI=1S/C15H14ClNO2S/c16-12-9-11-5-4-8-19-15(11)14(10-12)20(18)17-13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8H2
InChIKeyVDOJOKXGUDWDLS-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide?
The IUPAC name of 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide (CID 143337776) is 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide.
What is the SMILES notation for 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide?
The canonical SMILES for 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide is O=S(Nc1ccccc1)c1cc(Cl)cc2c1OCCC2.
What is the InChIKey of 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide?
The InChIKey is VDOJOKXGUDWDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-12-9-11-5-4-8-19-15(11)14(10-12)20(18)17-13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8H2.
What are the key properties of 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide?
6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide has a molecular weight of 307.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-phenyl-3,4-dihydro-2H-chromene-8-sulfinamide is sourced from PubChem (CID 143337776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).