N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide

C15H13F2NO2S2 — CID 17486240

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCSc2ccccc21)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO2S2/c16-10-5-6-12(17)15(9-10)22(19,20)18-13-7-8-21-14-4-2-1-3-11(13)14/h1-6,9,13,18H,7-8H2
InChIKeyHAUWLJMZPFUCQH-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.48
Rot. Bonds3

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 17486240) has the molecular formula C15H13F2NO2S2 and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
PubChem CID17486240
Molecular FormulaC15H13F2NO2S2
Molecular Weight341.40 g/mol
Exact Mass341.04
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCSc2ccccc21)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO2S2/c16-10-5-6-12(17)15(9-10)22(19,20)18-13-7-8-21-14-4-2-1-3-11(13)14/h1-6,9,13,18H,7-8H2
InChIKeyHAUWLJMZPFUCQH-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide (CID 17486240) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide is O=S(=O)(NC1CCSc2ccccc21)c1cc(F)ccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is HAUWLJMZPFUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S2/c16-10-5-6-12(17)15(9-10)22(19,20)18-13-7-8-21-14-4-2-1-3-11(13)14/h1-6,9,13,18H,7-8H2.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 17486240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).