(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C19H20ClNO6S — CID 16578079

IUPAC(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C19H20ClNO6S/c1-25-15-4-2-14(3-5-15)13-27-19(22)17-12-16(6-7-18(17)20)28(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3
InChIKeyUQTQDNMPVCOBJY-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.73
Rot. Bonds6

About (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 16578079) has the molecular formula C19H20ClNO6S and a molecular weight of 425.89 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID16578079
Molecular FormulaC19H20ClNO6S
Molecular Weight425.89 g/mol
Exact Mass425.07
IUPAC Name(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C19H20ClNO6S/c1-25-15-4-2-14(3-5-15)13-27-19(22)17-12-16(6-7-18(17)20)28(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3
InChIKeyUQTQDNMPVCOBJY-UHFFFAOYSA-N
XLogP2.73
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2662285
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
(4-bromophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2715867
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
(5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3513631
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
[3-(trifluoromethyl)phenyl]methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3649598
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316042
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 4012581
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 16578079) is (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is UQTQDNMPVCOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6S/c1-25-15-4-2-14(3-5-15)13-27-19(22)17-12-16(6-7-18(17)20)28(23,24)21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 425.89 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16578079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).