(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C23H24FN3O3S2 — CID 162446866

IUPAC(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc2c(c1)O[C@@H](F)CC2N1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C23H24FN3O3S2/c24-22-15-20(27-12-5-4-8-19(27)16-6-2-1-3-7-16)18-10-9-17(14-21(18)30-22)32(28,29)26-23-25-11-13-31-23/h1-3,6-7,9-11,13-14,19-20,22H,4-5,8,12,15H2,(H,25,26)/t19-,20?,22+/m0/s1
InChIKeyQCDLDLYFDWQQOI-PWKISDLSSA-N
MW473.60 g/mol
LogP5.29
Rot. Bonds5

About (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 162446866) has the molecular formula C23H24FN3O3S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID162446866
Molecular FormulaC23H24FN3O3S2
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Name(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc2c(c1)O[C@@H](F)CC2N1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C23H24FN3O3S2/c24-22-15-20(27-12-5-4-8-19(27)16-6-2-1-3-7-16)18-10-9-17(14-21(18)30-22)32(28,29)26-23-25-11-13-31-23/h1-3,6-7,9-11,13-14,19-20,22H,4-5,8,12,15H2,(H,25,26)/t19-,20?,22+/m0/s1
InChIKeyQCDLDLYFDWQQOI-PWKISDLSSA-N
XLogP5.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-phenylpyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)isoquinoline-6-sulfonamide
CID 86687511
(4S)-4-[(2S)-2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4S)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;(4R)-4-[(2S)-2-phenylpyrrolidin-1-yl]-N-(1,2,4-thiadiazol-5-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 158174898
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-[2-(1-chloropiperidin-4-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 129141474
4-[3-(difluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 71711912
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 980635
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
benzene;(4R)-6-fluoro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen
CID 145285646
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465896
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 162446866) is (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1nccs1)c1ccc2c(c1)O[C@@H](F)CC2N1CCCC[C@H]1c1ccccc1.
What is the InChIKey of (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is QCDLDLYFDWQQOI-PWKISDLSSA-N. The full InChI is InChI=1S/C23H24FN3O3S2/c24-22-15-20(27-12-5-4-8-19(27)16-6-2-1-3-7-16)18-10-9-17(14-21(18)30-22)32(28,29)26-23-25-11-13-31-23/h1-3,6-7,9-11,13-14,19-20,22H,4-5,8,12,15H2,(H,25,26)/t19-,20?,22+/m0/s1.
What are the key properties of (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 473.60 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-4-[(2S)-2-phenylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 162446866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).