2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride

C56H65ClF3N5O9S2 — CID 157421463

IUPAC2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
SMILESCCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O.O=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O5S.C18H20N2O2.C7H7ClO2S.C6H15N/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;2-5H,1H3;4-6H2,1-3H3
InChIKeyBPLMNQPLNHAIFQ-UHFFFAOYSA-N
MW1108.74 g/mol
LogP11.53
Rot. Bonds10

About 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride

2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride (PubChem CID 157421463) has the molecular formula C56H65ClF3N5O9S2 and a molecular weight of 1108.74 g/mol. Its IUPAC name is 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
PubChem CID157421463
Molecular FormulaC56H65ClF3N5O9S2
Molecular Weight1108.74 g/mol
Exact Mass1107.39
IUPAC Name2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride
SMILESCCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O.O=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O5S.C18H20N2O2.C7H7ClO2S.C6H15N/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;2-5H,1H3;4-6H2,1-3H3
InChIKeyBPLMNQPLNHAIFQ-UHFFFAOYSA-N
XLogP11.53
TPSA184.20 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001108.74
LogP ≤ 511.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride with MolForge

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Related Compounds

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-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
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-[(1R,2R,3S)-3-amino-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126691146
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-[(1R,2R)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-propanoylbenzenesulfonamide
CID 155077305
2-[[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-6-phenoxazin-10-ylcyclohexan-1-ol
CID 166592350

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The IUPAC name of 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) is 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride is CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O.O=S(=O)(NC1CCCC(N2c3ccccc3Oc3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
The InChIKey is BPLMNQPLNHAIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5S.C18H20N2O2.C7H7ClO2S.C6H15N/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30;19-12-6-5-9-15(18(12)21)20-13-7-1-3-10-16(13)22-17-11-4-2-8-14(17)20;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2;1-4,7-8,10-12,15,18,21H,5-6,9,19H2;2-5H,1H3;4-6H2,1-3H3.
What are the key properties of 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride?
2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride has a molecular weight of 1108.74 g/mol, XLogP of 11.53, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenoxazin-10-ylcyclohexan-1-ol;N,N-diethylethanamine;N-(2-hydroxy-3-phenoxazin-10-ylcyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 157421463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).