2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide

C15H12Cl2FNO2S2 — CID 25487523

IUPAC2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO2S2/c16-10-4-2-6-13(14(10)17)23(20,21)19-12-7-8-22-15-9(12)3-1-5-11(15)18/h1-6,12,19H,7-8H2/t12-/m1/s1
InChIKeyKMQOYUVLOIJXRO-GFCCVEGCSA-N
MW392.30 g/mol
LogP4.65
Rot. Bonds3

About 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide

2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide (PubChem CID 25487523) has the molecular formula C15H12Cl2FNO2S2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
PubChem CID25487523
Molecular FormulaC15H12Cl2FNO2S2
Molecular Weight392.30 g/mol
Exact Mass390.97
IUPAC Name2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO2S2/c16-10-4-2-6-13(14(10)17)23(20,21)19-12-7-8-22-15-9(12)3-1-5-11(15)18/h1-6,12,19H,7-8H2/t12-/m1/s1
InChIKeyKMQOYUVLOIJXRO-GFCCVEGCSA-N
XLogP4.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxybenzenesulfonamide
CID 25472037
N-(2,4-dichlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758723
1-(4-chlorophenyl)sulfonyl-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 55447683
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propyl]methanesulfonamide
CID 103776635
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
N-(2,3-dihydro-1H-inden-2-yl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103777403
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
N-(4-bromo-2-chlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43774949
N-(3-chloro-4-methylphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43757422
N-(dicyclopropylmethyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43768553
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide (CID 25487523) is 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide?
The InChIKey is KMQOYUVLOIJXRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2S2/c16-10-4-2-6-13(14(10)17)23(20,21)19-12-7-8-22-15-9(12)3-1-5-11(15)18/h1-6,12,19H,7-8H2/t12-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide?
2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide has a molecular weight of 392.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide is sourced from PubChem (CID 25487523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).