(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine

C23H26F4N4O3S2 — CID 145285546

IUPAC(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine
SMILESO=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCC(C(F)(F)F)CC1)CCO2.[H][H].c1ccncc1
InChIInChI=1S/C18H19F4N3O3S2.C5H5N.H2/c19-13-9-12-14(25-5-1-11(2-6-25)18(20,21)22)3-7-28-15(12)10-16(13)30(26,27)24-17-23-4-8-29-17;1-2-4-6-5-3-1;/h4,8-11,14H,1-3,5-7H2,(H,23,24);1-5H;1H/t14-;;/m1../s1
InChIKeyJPNYHPKBPAHUEA-FMOMHUKBSA-N
MW546.61 g/mol
LogP5.51
Rot. Bonds4

About (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine

(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine (PubChem CID 145285546) has the molecular formula C23H26F4N4O3S2 and a molecular weight of 546.61 g/mol. Its IUPAC name is (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine.

Molecular Properties

Compound Name(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine
PubChem CID145285546
Molecular FormulaC23H26F4N4O3S2
Molecular Weight546.61 g/mol
Exact Mass546.14
IUPAC Name(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine
SMILESO=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCC(C(F)(F)F)CC1)CCO2.[H][H].c1ccncc1
InChIInChI=1S/C18H19F4N3O3S2.C5H5N.H2/c19-13-9-12-14(25-5-1-11(2-6-25)18(20,21)22)3-7-28-15(12)10-16(13)30(26,27)24-17-23-4-8-29-17;1-2-4-6-5-3-1;/h4,8-11,14H,1-3,5-7H2,(H,23,24);1-5H;1H/t14-;;/m1../s1
InChIKeyJPNYHPKBPAHUEA-FMOMHUKBSA-N
XLogP5.51
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine with MolForge

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Related Compounds

(4R)-4-[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156009730
(4R)-4-[2-piperazin-1-yl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156022164
3-cyano-4-[4-fluoro-2-(6-fluoro-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718029
(4R)-4-[2-(5-fluoropyridin-2-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 127034190
(4S)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155524941
(4R)-4-[2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156010936
(4S)-4-[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156016304
(4R)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156016601
(4R)-4-[2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 156017266
4-(2-pyridin-4-ylethyl)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 156020151
1-[2-(cyanomethoxy)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)isoquinoline-6-sulfonamide
CID 71585740
4-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 71711551

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine?
The IUPAC name of (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine (CID 145285546) is (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine.
What is the SMILES notation for (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine?
The canonical SMILES for (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine is O=S(=O)(Nc1nccs1)c1cc2c(cc1F)[C@H](N1CCC(C(F)(F)F)CC1)CCO2.[H][H].c1ccncc1.
What is the InChIKey of (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine?
The InChIKey is JPNYHPKBPAHUEA-FMOMHUKBSA-N. The full InChI is InChI=1S/C18H19F4N3O3S2.C5H5N.H2/c19-13-9-12-14(25-5-1-11(2-6-25)18(20,21)22)3-7-28-15(12)10-16(13)30(26,27)24-17-23-4-8-29-17;1-2-4-6-5-3-1;/h4,8-11,14H,1-3,5-7H2,(H,23,24);1-5H;1H/t14-;;/m1../s1.
What are the key properties of (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine?
(4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine has a molecular weight of 546.61 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-N-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromene-7-sulfonamide;molecular hydrogen;pyridine is sourced from PubChem (CID 145285546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).