methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C12H14ClNO5S — CID 779059

IUPACmethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO5S/c1-18-12(15)10-8-9(2-3-11(10)13)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyJYCBXPKSQXFWGP-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 779059) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID779059
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Namemethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO5S/c1-18-12(15)10-8-9(2-3-11(10)13)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3
InChIKeyJYCBXPKSQXFWGP-UHFFFAOYSA-N
XLogP1.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
(2-bromophenyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1127061
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2662285
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 779059) is methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is JYCBXPKSQXFWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c1-18-12(15)10-8-9(2-3-11(10)13)20(16,17)14-4-6-19-7-5-14/h2-3,8H,4-7H2,1H3.
What are the key properties of methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 319.77 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 779059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).