5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide

C15H16FNO3S2 — CID 110751341

IUPAC5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCOc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FNO3S2/c1-2-11-4-6-15(21-11)22(18,19)17-13-7-8-20-14-5-3-10(16)9-12(13)14/h3-6,9,13,17H,2,7-8H2,1H3
InChIKeyQSDVCNRBDISLSY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.25
Rot. Bonds4

About 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide

5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide (PubChem CID 110751341) has the molecular formula C15H16FNO3S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
PubChem CID110751341
Molecular FormulaC15H16FNO3S2
Molecular Weight341.43 g/mol
Exact Mass341.06
IUPAC Name5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCOc3ccc(F)cc32)s1
InChIInChI=1S/C15H16FNO3S2/c1-2-11-4-6-15(21-11)22(18,19)17-13-7-8-20-14-5-3-10(16)9-12(13)14/h3-6,9,13,17H,2,7-8H2,1H3
InChIKeyQSDVCNRBDISLSY-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126770272
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 106268057
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
5-[[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 119145559
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide (CID 110751341) is 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2CCOc3ccc(F)cc32)s1.
What is the InChIKey of 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
The InChIKey is QSDVCNRBDISLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S2/c1-2-11-4-6-15(21-11)22(18,19)17-13-7-8-20-14-5-3-10(16)9-12(13)14/h3-6,9,13,17H,2,7-8H2,1H3.
What are the key properties of 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide?
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110751341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).