(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

C24H24F4N4O3S2 — CID 145285107

IUPAC(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCN(c1nccs1)S(=O)(=O)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2
InChIInChI=1S/C24H24F4N4O3S2/c1-31(23-30-8-11-36-23)37(33,34)22-14-21-16(13-17(22)25)19(6-10-35-21)32-9-5-15(24(26,27)28)12-20(32)18-4-2-3-7-29-18/h2-4,7-8,11,13-15,19-20H,5-6,9-10,12H2,1H3/t15-,19+,20+/m1/s1
InChIKeyUBGWJDRAJPRCBI-XPGWFJOJSA-N
MW556.61 g/mol
LogP5.34
Rot. Bonds5

About (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 145285107) has the molecular formula C24H24F4N4O3S2 and a molecular weight of 556.61 g/mol. Its IUPAC name is (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID145285107
Molecular FormulaC24H24F4N4O3S2
Molecular Weight556.61 g/mol
Exact Mass556.12
IUPAC Name(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESCN(c1nccs1)S(=O)(=O)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2
InChIInChI=1S/C24H24F4N4O3S2/c1-31(23-30-8-11-36-23)37(33,34)22-14-21-16(13-17(22)25)19(6-10-35-21)32-9-5-15(24(26,27)28)12-20(32)18-4-2-3-7-29-18/h2-4,7-8,11,13-15,19-20H,5-6,9-10,12H2,1H3/t15-,19+,20+/m1/s1
InChIKeyUBGWJDRAJPRCBI-XPGWFJOJSA-N
XLogP5.34
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.61
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide (CID 145285107) is (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is CN(c1nccs1)S(=O)(=O)c1cc2c(cc1F)[C@@H](N1CC[C@@H](C(F)(F)F)C[C@H]1c1ccccn1)CCO2.
What is the InChIKey of (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is UBGWJDRAJPRCBI-XPGWFJOJSA-N. The full InChI is InChI=1S/C24H24F4N4O3S2/c1-31(23-30-8-11-36-23)37(33,34)22-14-21-16(13-17(22)25)19(6-10-35-21)32-9-5-15(24(26,27)28)12-20(32)18-4-2-3-7-29-18/h2-4,7-8,11,13-15,19-20H,5-6,9-10,12H2,1H3/t15-,19+,20+/m1/s1.
What are the key properties of (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide?
(4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 556.61 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-N-methyl-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 145285107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).