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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Related Compounds

4-bromo-2-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
CID 25483882
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 42887686
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 8799527
4-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]benzene-1,4-disulfonamide
CID 26529063
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
CID 97083421
2,4-difluoro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25048136
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
CID 26541560
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371952
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide
CID 55559714
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-4-fluorobenzoic acid
CID 43728124

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).