4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide

C62H60F10N4O7S2 — CID 160753308

IUPAC4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CC=C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.O=C(O)CC=C(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C31H29F5N2O3S.C16H12F2O2.C15H19F3N2O2S/c32-24-8-4-21(5-9-24)29(22-6-10-25(33)11-7-22)14-15-30(39)37-18-16-27(17-19-37)38(26-12-13-26)42(40,41)28-3-1-2-23(20-28)31(34,35)36;17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12;16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-11,14,20,26-27H,12-13,15-19H2;1-9H,10H2,(H,19,20);1-3,10,12-13,19H,4-9H2
InChIKeyRXCJRHYIOVRSCK-UHFFFAOYSA-N
MW1227.30 g/mol
LogP13.13
Rot. Bonds16

About 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide

4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 160753308) has the molecular formula C62H60F10N4O7S2 and a molecular weight of 1227.30 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID160753308
Molecular FormulaC62H60F10N4O7S2
Molecular Weight1227.30 g/mol
Exact Mass1226.37
IUPAC Name4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CC=C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.O=C(O)CC=C(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1
InChIInChI=1S/C31H29F5N2O3S.C16H12F2O2.C15H19F3N2O2S/c32-24-8-4-21(5-9-24)29(22-6-10-25(33)11-7-22)14-15-30(39)37-18-16-27(17-19-37)38(26-12-13-26)42(40,41)28-3-1-2-23(20-28)31(34,35)36;17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12;16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-11,14,20,26-27H,12-13,15-19H2;1-9H,10H2,(H,19,20);1-3,10,12-13,19H,4-9H2
InChIKeyRXCJRHYIOVRSCK-UHFFFAOYSA-N
XLogP13.13
TPSA144.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.30
LogP ≤ 513.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-N-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641673
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
CID 141139016
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 72544206
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 25235462
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 68691572
N-[1-(azetidine-3-carbonyl)piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24882798
N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 24877270
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371
N-cyclopropyl-N-[1-[2-(methylamino)-3-(3-methylphenyl)propanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 68984680

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (CID 160753308) is 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is O=C(CC=C(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.O=C(O)CC=C(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1cccc(C(F)(F)F)c1)N(C1CCNCC1)C1CC1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RXCJRHYIOVRSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F5N2O3S.C16H12F2O2.C15H19F3N2O2S/c32-24-8-4-21(5-9-24)29(22-6-10-25(33)11-7-22)14-15-30(39)37-18-16-27(17-19-37)38(26-12-13-26)42(40,41)28-3-1-2-23(20-28)31(34,35)36;17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12;16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-11,14,20,26-27H,12-13,15-19H2;1-9H,10H2,(H,19,20);1-3,10,12-13,19H,4-9H2.
What are the key properties of 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1227.30 g/mol, XLogP of 13.13, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 160753308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).