2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol

C25H23ClF3N3O4S — CID 166592350

IUPAC2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
SMILES[H]N=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C25H23ClF3N3O4S/c26-16-14-15(36-25(27,28)29)12-13-23(16)37(30,34)31-17-6-5-9-20(24(17)33)32-18-7-1-3-10-21(18)35-22-11-4-2-8-19(22)32/h1-4,7-8,10-14,17,20,24,33H,5-6,9H2,(H2,30,31,34)
InChIKeyJJLMJEBWEBHXFP-UHFFFAOYSA-N
MW553.99 g/mol
LogP6.37
Rot. Bonds5

About 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol

2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol (PubChem CID 166592350) has the molecular formula C25H23ClF3N3O4S and a molecular weight of 553.99 g/mol. Its IUPAC name is 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
PubChem CID166592350
Molecular FormulaC25H23ClF3N3O4S
Molecular Weight553.99 g/mol
Exact Mass553.10
IUPAC Name2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
SMILES[H]N=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C25H23ClF3N3O4S/c26-16-14-15(36-25(27,28)29)12-13-23(16)37(30,34)31-17-6-5-9-20(24(17)33)32-18-7-1-3-10-21(18)35-22-11-4-2-8-19(22)32/h1-4,7-8,10-14,17,20,24,33H,5-6,9H2,(H2,30,31,34)
InChIKeyJJLMJEBWEBHXFP-UHFFFAOYSA-N
XLogP6.37
TPSA94.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.99
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061378
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxazin-10-yl]cyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123229562
2-phenoxazin-10-yl-6-[[N-propyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]cyclohexan-1-ol
CID 166592772
N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834
N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
CID 161459830
3-(1,1-difluoro-3-methyl-2-methylidenebutoxy)-N-[(1R,2R,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]benzenesulfonamide
CID 159657626
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-[(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-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-phenylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905174
N-(1-acetyl-4-hydroxy-5-phenoxazin-10-ylpiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 155084059

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol?
The IUPAC name of 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol (CID 166592350) is 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol is [H]N=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol?
The InChIKey is JJLMJEBWEBHXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O4S/c26-16-14-15(36-25(27,28)29)12-13-23(16)37(30,34)31-17-6-5-9-20(24(17)33)32-18-7-1-3-10-21(18)35-22-11-4-2-8-19(22)32/h1-4,7-8,10-14,17,20,24,33H,5-6,9H2,(H2,30,31,34).
What are the key properties of 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol?
2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol has a molecular weight of 553.99 g/mol, XLogP of 6.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol is sourced from PubChem (CID 166592350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).