(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate

C13H15ClN2O6S — CID 7667130

IUPAC(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
SMILESNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15ClN2O6S/c14-10-2-1-9(13(18)22-8-12(15)17)7-11(10)23(19,20)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2,(H2,15,17)
InChIKeyIXCMGQKWCZZDOT-UHFFFAOYSA-N
MW362.79 g/mol
LogP0.00
Rot. Bonds5

About (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate

(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 7667130) has the molecular formula C13H15ClN2O6S and a molecular weight of 362.79 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
PubChem CID7667130
Molecular FormulaC13H15ClN2O6S
Molecular Weight362.79 g/mol
Exact Mass362.03
IUPAC Name(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
SMILESNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H15ClN2O6S/c14-10-2-1-9(13(18)22-8-12(15)17)7-11(10)23(19,20)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2,(H2,15,17)
InChIKeyIXCMGQKWCZZDOT-UHFFFAOYSA-N
XLogP0.00
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433649
[2-(2-methylpropylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667112
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
[2-(benzylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55313206
(4-bromophenyl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 2495549
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 5016661
(3-carbamoylphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55642988
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 41070610
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
(4-bromophenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 1124157

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate (CID 7667130) is (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate is NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is IXCMGQKWCZZDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O6S/c14-10-2-1-9(13(18)22-8-12(15)17)7-11(10)23(19,20)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2,(H2,15,17).
What are the key properties of (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate?
(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 362.79 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7667130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).