cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

C105H95F11N8O18S3 — CID 159340531

IUPACcis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](N3c4ccccc4Oc4ccc(F)cc43)[C@H]2O)cc1.Fc1ccc2c(c1)Nc1ccccc1O2.O=S(=O)(N[C@@H]1CCCC(N2c3ccccc3Oc3ccc(F)cc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccc(F)cc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.O[C@@H]1C(N2c3ccccc3Oc3ccc(F)cc32)CCC[C@@H]1O
InChIInChI=1S/2C25H22F4N2O5S.C25H25FN2O4S.C18H18FNO3.C12H8FNO/c2*26-15-8-13-23-21(14-15)31(19-5-1-2-7-22(19)35-23)20-6-3-4-18(24(20)32)30-37(33,34)17-11-9-16(10-12-17)36-25(27,28)29;1-16-9-12-18(13-10-16)33(30,31)27-19-5-4-7-21(25(19)29)28-20-6-2-3-8-23(20)32-24-14-11-17(26)15-22(24)28;19-11-8-9-17-14(10-11)20(12-4-1-2-7-16(12)23-17)13-5-3-6-15(21)18(13)22;13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h2*1-2,5,7-14,18,20,24,30,32H,3-4,6H2;2-3,6,8-15,19,21,25,27,29H,4-5,7H2,1H3;1-2,4,7-10,13,15,18,21-22H,3,5-6H2;1-7,14H/t18-,20?,24+;18-,20+,24+;19-,21+,25+;13?,15-,18+;/m1010./s1
InChIKeyLGBVMERWWHTTEH-UQOBCLCTSA-N
MW2062.13 g/mol
LogP22.11
Rot. Bonds15

About cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide

cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 159340531) has the molecular formula C105H95F11N8O18S3 and a molecular weight of 2062.13 g/mol. Its IUPAC name is cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Namecis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID159340531
Molecular FormulaC105H95F11N8O18S3
Molecular Weight2062.13 g/mol
Exact Mass2060.58
IUPAC Namecis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](N3c4ccccc4Oc4ccc(F)cc43)[C@H]2O)cc1.Fc1ccc2c(c1)Nc1ccccc1O2.O=S(=O)(N[C@@H]1CCCC(N2c3ccccc3Oc3ccc(F)cc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccc(F)cc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.O[C@@H]1C(N2c3ccccc3Oc3ccc(F)cc32)CCC[C@@H]1O
InChIInChI=1S/2C25H22F4N2O5S.C25H25FN2O4S.C18H18FNO3.C12H8FNO/c2*26-15-8-13-23-21(14-15)31(19-5-1-2-7-22(19)35-23)20-6-3-4-18(24(20)32)30-37(33,34)17-11-9-16(10-12-17)36-25(27,28)29;1-16-9-12-18(13-10-16)33(30,31)27-19-5-4-7-21(25(19)29)28-20-6-2-3-8-23(20)32-24-14-11-17(26)15-22(24)28;19-11-8-9-17-14(10-11)20(12-4-1-2-7-16(12)23-17)13-5-3-6-15(21)18(13)22;13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h2*1-2,5,7-14,18,20,24,30,32H,3-4,6H2;2-3,6,8-15,19,21,25,27,29H,4-5,7H2,1H3;1-2,4,7-10,13,15,18,21-22H,3,5-6H2;1-7,14H/t18-,20?,24+;18-,20+,24+;19-,21+,25+;13?,15-,18+;/m1010./s1
InChIKeyLGBVMERWWHTTEH-UQOBCLCTSA-N
XLogP22.11
TPSA329.26 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.13
LogP ≤ 522.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 159340531) is cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](N3c4ccccc4Oc4ccc(F)cc43)[C@H]2O)cc1.Fc1ccc2c(c1)Nc1ccccc1O2.O=S(=O)(N[C@@H]1CCCC(N2c3ccccc3Oc3ccc(F)cc32)[C@H]1O)c1ccc(OC(F)(F)F)cc1.O=S(=O)(N[C@H]1CCC[C@@H](N2c3ccccc3Oc3ccc(F)cc32)[C@@H]1O)c1ccc(OC(F)(F)F)cc1.O[C@@H]1C(N2c3ccccc3Oc3ccc(F)cc32)CCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LGBVMERWWHTTEH-UQOBCLCTSA-N. The full InChI is InChI=1S/2C25H22F4N2O5S.C25H25FN2O4S.C18H18FNO3.C12H8FNO/c2*26-15-8-13-23-21(14-15)31(19-5-1-2-7-22(19)35-23)20-6-3-4-18(24(20)32)30-37(33,34)17-11-9-16(10-12-17)36-25(27,28)29;1-16-9-12-18(13-10-16)33(30,31)27-19-5-4-7-21(25(19)29)28-20-6-2-3-8-23(20)32-24-14-11-17(26)15-22(24)28;19-11-8-9-17-14(10-11)20(12-4-1-2-7-16(12)23-17)13-5-3-6-15(21)18(13)22;13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h2*1-2,5,7-14,18,20,24,30,32H,3-4,6H2;2-3,6,8-15,19,21,25,27,29H,4-5,7H2,1H3;1-2,4,7-10,13,15,18,21-22H,3,5-6H2;1-7,14H/t18-,20?,24+;18-,20+,24+;19-,21+,25+;13?,15-,18+;/m1010./s1.
What are the key properties of cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide?
cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 2062.13 g/mol, XLogP of 22.11, 15 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-(2-fluorophenoxazin-10-yl)cyclohexane-1,2-diol;2-fluoro-10H-phenoxazine;N-[(1R,2R,3S)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide;N-[(1R,2R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[(1S,2S,3R)-3-(2-fluorophenoxazin-10-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 159340531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).