2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C26H24ClF3N2O4S — CID 155061378

IUPAC2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H]1C(N2c3ccccc3Oc3ccccc32)CCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C26H24ClF3N2O4S/c1-16-19(31-37(33,34)25-14-13-17(15-18(25)27)36-26(28,29)30)7-6-10-20(16)32-21-8-2-4-11-23(21)35-24-12-5-3-9-22(24)32/h2-5,8-9,11-16,19-20,31H,6-7,10H2,1H3/t16-,19+,20?/m0/s1
InChIKeyOGRGEMDGLMKXLL-VPSRXSMPSA-N
MW553.00 g/mol
LogP7.02
Rot. Bonds5

About 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155061378) has the molecular formula C26H24ClF3N2O4S and a molecular weight of 553.00 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID155061378
Molecular FormulaC26H24ClF3N2O4S
Molecular Weight553.00 g/mol
Exact Mass552.11
IUPAC Name2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H]1C(N2c3ccccc3Oc3ccccc32)CCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C26H24ClF3N2O4S/c1-16-19(31-37(33,34)25-14-13-17(15-18(25)27)36-26(28,29)30)7-6-10-20(16)32-21-8-2-4-11-23(21)35-24-12-5-3-9-22(24)32/h2-5,8-9,11-16,19-20,31H,6-7,10H2,1H3/t16-,19+,20?/m0/s1
InChIKeyOGRGEMDGLMKXLL-VPSRXSMPSA-N
XLogP7.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.00
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
CID 166592350
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-[(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
3-(1,1-difluoro-3-methyl-2-methylidenebutoxy)-N-[(1R,2R,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]benzenesulfonamide
CID 159657626
N-[3-(3,7-difluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 123596834
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
N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yl-1-phenylpiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 140905174
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
N-[(2R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 146830114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 155061378) is 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is C[C@@H]1C(N2c3ccccc3Oc3ccccc32)CCC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OGRGEMDGLMKXLL-VPSRXSMPSA-N. The full InChI is InChI=1S/C26H24ClF3N2O4S/c1-16-19(31-37(33,34)25-14-13-17(15-18(25)27)36-26(28,29)30)7-6-10-20(16)32-21-8-2-4-11-23(21)35-24-12-5-3-9-22(24)32/h2-5,8-9,11-16,19-20,31H,6-7,10H2,1H3/t16-,19+,20?/m0/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 553.00 g/mol, XLogP of 7.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-2-methyl-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155061378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).