(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C20H23FN6O3S2 — CID 145285071

IUPAC(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1nccc1[C@@H]1CCCCN1[C@@H]1CCOc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21
InChIInChI=1S/C20H23FN6O3S2/c1-26-16(5-7-23-26)17-4-2-3-8-27(17)15-6-9-30-18-11-19(14(21)10-13(15)18)32(28,29)25-20-22-12-24-31-20/h5,7,10-12,15,17H,2-4,6,8-9H2,1H3,(H,22,24,25)/t15-,17+/m1/s1
InChIKeyRENIGUUAFYXCAU-WBVHZDCISA-N
MW478.58 g/mol
LogP3.26
Rot. Bonds5

About (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 145285071) has the molecular formula C20H23FN6O3S2 and a molecular weight of 478.58 g/mol. Its IUPAC name is (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID145285071
Molecular FormulaC20H23FN6O3S2
Molecular Weight478.58 g/mol
Exact Mass478.13
IUPAC Name(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCn1nccc1[C@@H]1CCCCN1[C@@H]1CCOc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21
InChIInChI=1S/C20H23FN6O3S2/c1-26-16(5-7-23-26)17-4-2-3-8-27(17)15-6-9-30-18-11-19(14(21)10-13(15)18)32(28,29)25-20-22-12-24-31-20/h5,7,10-12,15,17H,2-4,6,8-9H2,1H3,(H,22,24,25)/t15-,17+/m1/s1
InChIKeyRENIGUUAFYXCAU-WBVHZDCISA-N
XLogP3.26
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide with MolForge

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Related Compounds

3-Cyano-4-[2-[2-(1-Ethylazetidin-3-Yl)pyrazol-3-Yl]-4-(Trifluoromethyl)phenoxy]-~{n}-(1,2,4-Thiadiazol-5-Yl)benzenesulfonamide
CID 46841936
4-{4-Chloro-2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]phenoxy}-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841499
(4S)-6-fluoro-4-[(2R,4S)-2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155518443
(4S)-6-fluoro-4-[(2R,4S)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155529277
(4S)-6-fluoro-4-[(2R,4S)-2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155536553
3-cyano-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 59436531
4-[2-(2-tert-butylpyrazol-3-yl)-4-fluorophenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716804
3-cyano-4-[4-fluoro-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717417
4-[4-chloro-2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71718145
3-cyano-5-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719245
2,5-difluoro-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719316
3-cyano-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71720499

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 145285071) is (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is Cn1nccc1[C@@H]1CCCCN1[C@@H]1CCOc2cc(S(=O)(=O)Nc3ncns3)c(F)cc21.
What is the InChIKey of (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is RENIGUUAFYXCAU-WBVHZDCISA-N. The full InChI is InChI=1S/C20H23FN6O3S2/c1-26-16(5-7-23-26)17-4-2-3-8-27(17)15-6-9-30-18-11-19(14(21)10-13(15)18)32(28,29)25-20-22-12-24-31-20/h5,7,10-12,15,17H,2-4,6,8-9H2,1H3,(H,22,24,25)/t15-,17+/m1/s1.
What are the key properties of (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 478.58 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-4-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 145285071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).