4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol

C45H52Cl8N4O16S4 — CID 160671366

IUPAC4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
SMILESCOCc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.Cc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=C(O)c1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=S(=O)(c1cc(Cl)c(CO)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H15Cl2NO4S.C11H11Cl2NO5S.C11H13Cl2NO4S.C11H13Cl2NO3S/c1-18-8-9-6-11(14)12(7-10(9)13)20(16,17)15-2-4-19-5-3-15;12-8-6-10(9(13)5-7(8)11(15)16)20(17,18)14-1-3-19-4-2-14;12-9-6-11(10(13)5-8(9)7-15)19(16,17)14-1-3-18-4-2-14;1-8-6-10(13)11(7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5,8H2,1H3;5-6H,1-4H2,(H,15,16);5-6,15H,1-4,7H2;6-7H,2-5H2,1H3
InChIKeyRMYUJVDPUVMGJY-UHFFFAOYSA-N
MW1316.81 g/mol
LogP7.70
Rot. Bonds12

About 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol

4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol (PubChem CID 160671366) has the molecular formula C45H52Cl8N4O16S4 and a molecular weight of 1316.81 g/mol. Its IUPAC name is 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol.

Molecular Properties

Compound Name4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
PubChem CID160671366
Molecular FormulaC45H52Cl8N4O16S4
Molecular Weight1316.81 g/mol
Exact Mass1311.98
IUPAC Name4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
SMILESCOCc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.Cc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=C(O)c1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=S(=O)(c1cc(Cl)c(CO)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H15Cl2NO4S.C11H11Cl2NO5S.C11H13Cl2NO4S.C11H13Cl2NO3S/c1-18-8-9-6-11(14)12(7-10(9)13)20(16,17)15-2-4-19-5-3-15;12-8-6-10(9(13)5-7(8)11(15)16)20(17,18)14-1-3-19-4-2-14;12-9-6-11(10(13)5-8(9)7-15)19(16,17)14-1-3-18-4-2-14;1-8-6-10(13)11(7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5,8H2,1H3;5-6H,1-4H2,(H,15,16);5-6,15H,1-4,7H2;6-7H,2-5H2,1H3
InChIKeyRMYUJVDPUVMGJY-UHFFFAOYSA-N
XLogP7.70
TPSA253.20 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.81
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol with MolForge

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Related Compounds

(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol
CID 59093503
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
2-hydroxyethyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518137
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
5-chloro-2-methyl-3-morpholin-4-ylsulfonylbenzoic acid
CID 82883717
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675286
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol?
The IUPAC name of 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol (CID 160671366) is 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol.
What is the SMILES notation for 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol?
The canonical SMILES for 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol is COCc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.Cc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=C(O)c1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1Cl.O=S(=O)(c1cc(Cl)c(CO)cc1Cl)N1CCOCC1.
What is the InChIKey of 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol?
The InChIKey is RMYUJVDPUVMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S.C11H11Cl2NO5S.C11H13Cl2NO4S.C11H13Cl2NO3S/c1-18-8-9-6-11(14)12(7-10(9)13)20(16,17)15-2-4-19-5-3-15;12-8-6-10(9(13)5-7(8)11(15)16)20(17,18)14-1-3-19-4-2-14;12-9-6-11(10(13)5-8(9)7-15)19(16,17)14-1-3-18-4-2-14;1-8-6-10(13)11(7-9(8)12)18(15,16)14-2-4-17-5-3-14/h6-7H,2-5,8H2,1H3;5-6H,1-4H2,(H,15,16);5-6,15H,1-4,7H2;6-7H,2-5H2,1H3.
What are the key properties of 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol?
4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol has a molecular weight of 1316.81 g/mol, XLogP of 7.70, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dichloro-4-(methoxymethyl)phenyl]sulfonylmorpholine;4-(2,5-dichloro-4-methylphenyl)sulfonylmorpholine;2,5-dichloro-4-morpholin-4-ylsulfonylbenzoic acid;(2,5-dichloro-4-morpholin-4-ylsulfonylphenyl)methanol is sourced from PubChem (CID 160671366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).