(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

C26H23F6N3O3S — CID 155524941

IUPAC(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
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2
InChIInChI=1S/C26H23F6N3O3S/c27-17-3-1-15(2-4-17)22-11-16(26(30,31)32)7-9-35(22)21-8-10-38-23-13-24(20(29)12-19(21)23)39(36,37)34-25-6-5-18(28)14-33-25/h1-6,12-14,16,21-22H,7-11H2,(H,33,34)/t16-,21-,22+/m0/s1
InChIKeyIIMGXIKMMXZJRR-WQTXXOFMSA-N
MW571.54 g/mol
LogP6.14
Rot. Bonds5

About (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

(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 (PubChem CID 155524941) has the molecular formula C26H23F6N3O3S and a molecular weight of 571.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155524941
Molecular FormulaC26H23F6N3O3S
Molecular Weight571.54 g/mol
Exact Mass571.14
IUPAC Name(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
SMILESO=S(=O)(Nc1ccc(F)cn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2
InChIInChI=1S/C26H23F6N3O3S/c27-17-3-1-15(2-4-17)22-11-16(26(30,31)32)7-9-35(22)21-8-10-38-23-13-24(20(29)12-19(21)23)39(36,37)34-25-6-5-18(28)14-33-25/h1-6,12-14,16,21-22H,7-11H2,(H,33,34)/t16-,21-,22+/m0/s1
InChIKeyIIMGXIKMMXZJRR-WQTXXOFMSA-N
XLogP6.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.54
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=S(=O)(Nc1ccc(F)cn1)c1cc2c(cc1F)[C@@H](N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1)CCO2.
What is the InChIKey of (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?
The InChIKey is IIMGXIKMMXZJRR-WQTXXOFMSA-N. The full InChI is InChI=1S/C26H23F6N3O3S/c27-17-3-1-15(2-4-17)22-11-16(26(30,31)32)7-9-35(22)21-8-10-38-23-13-24(20(29)12-19(21)23)39(36,37)34-25-6-5-18(28)14-33-25/h1-6,12-14,16,21-22H,7-11H2,(H,33,34)/t16-,21-,22+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 571.54 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155524941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).