4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide

C13H19FN2O3S — CID 82166378

IUPAC4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)cc2c1OCCC2N
InChIInChI=1S/C13H19FN2O3S/c1-8(2)7-16-20(17,18)12-6-9(14)5-10-11(15)3-4-19-13(10)12/h5-6,8,11,16H,3-4,7,15H2,1-2H3
InChIKeyPRPTXKPPZYHADW-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide

4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 82166378) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID82166378
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)cc2c1OCCC2N
InChIInChI=1S/C13H19FN2O3S/c1-8(2)7-16-20(17,18)12-6-9(14)5-10-11(15)3-4-19-13(10)12/h5-6,8,11,16H,3-4,7,15H2,1-2H3
InChIKeyPRPTXKPPZYHADW-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 82166349
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
CID 171252439
4-amino-8-chloro-N-ethyl-3,4-dihydro-2H-chromene-6-sulfonamide
CID 82166330
4-amino-8-chloro-N-propan-2-yl-3,4-dihydro-2H-chromene-6-sulfonamide
CID 82166331
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 82166378) is 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is CC(C)CNS(=O)(=O)c1cc(F)cc2c1OCCC2N.
What is the InChIKey of 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is PRPTXKPPZYHADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-8(2)7-16-20(17,18)12-6-9(14)5-10-11(15)3-4-19-13(10)12/h5-6,8,11,16H,3-4,7,15H2,1-2H3.
What are the key properties of 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 82166378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).