N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C26H22F6N2O5S — CID 123229562

IUPACN-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccc(C(F)(F)F)cc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H22F6N2O5S/c27-25(28,29)15-8-13-23-21(14-15)34(19-5-1-2-7-22(19)38-23)20-6-3-4-18(24(20)35)33-40(36,37)17-11-9-16(10-12-17)39-26(30,31)32/h1-2,5,7-14,18,20,24,33,35H,3-4,6H2
InChIKeyFAKRFMCSJZHFHY-UHFFFAOYSA-N
MW588.53 g/mol
LogP6.11
Rot. Bonds5

About N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 123229562) has the molecular formula C26H22F6N2O5S and a molecular weight of 588.53 g/mol. Its IUPAC name is N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID123229562
Molecular FormulaC26H22F6N2O5S
Molecular Weight588.53 g/mol
Exact Mass588.12
IUPAC NameN-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccc(C(F)(F)F)cc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H22F6N2O5S/c27-25(28,29)15-8-13-23-21(14-15)34(19-5-1-2-7-22(19)38-23)20-6-3-4-18(24(20)35)33-40(36,37)17-11-9-16(10-12-17)39-26(30,31)32/h1-2,5,7-14,18,20,24,33,35H,3-4,6H2
InChIKeyFAKRFMCSJZHFHY-UHFFFAOYSA-N
XLogP6.11
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.53
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834
N-[(1R,2R,3S)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 118374266
N-[(2R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 146830114
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
CID 157421463
N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-phenylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905174
2-phenoxazin-10-yl-6-[[N-propyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592772
N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 155084059
methyl (3S,4R,5R)-4-hydroxy-3-phenoxazin-10-yl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673519
2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
CID 166592350
(3S,4R,5R)-4-hydroxy-3-phenoxazin-10-yl-N-phenyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxamide
CID 155084025
3-(1,1-difluoro-3-methyl-2-methylidenebutoxy)-N-[(1R,2R,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]benzenesulfonamide
CID 159657626

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 123229562) is N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccc(C(F)(F)F)cc32)C1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FAKRFMCSJZHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N2O5S/c27-25(28,29)15-8-13-23-21(14-15)34(19-5-1-2-7-22(19)38-23)20-6-3-4-18(24(20)35)33-40(36,37)17-11-9-16(10-12-17)39-26(30,31)32/h1-2,5,7-14,18,20,24,33,35H,3-4,6H2.
What are the key properties of N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 588.53 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 123229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).