methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate

C18H19ClN2O5S — CID 94438401

IUPACmethyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O5S/c1-25-18(22)15-10-14(27(20,23)24)6-7-16(15)21-8-9-26-17(11-21)12-2-4-13(19)5-3-12/h2-7,10,17H,8-9,11H2,1H3,(H2,20,23,24)/t17-/m0/s1
InChIKeyMCKMRLAWTILFKQ-KRWDZBQOSA-N
MW410.88 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate

methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate (PubChem CID 94438401) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate
PubChem CID94438401
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Namemethyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate
SMILESCOC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O5S/c1-25-18(22)15-10-14(27(20,23)24)6-7-16(15)21-8-9-26-17(11-21)12-2-4-13(19)5-3-12/h2-7,10,17H,8-9,11H2,1H3,(H2,20,23,24)/t17-/m0/s1
InChIKeyMCKMRLAWTILFKQ-KRWDZBQOSA-N
XLogP2.35
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylmorpholin-4-yl)-5-sulfamoylbenzoic acid
CID 43322690
methyl 2-(4-methylazepan-1-yl)-5-sulfamoylbenzoate
CID 56821954
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-sulfamoylbenzoate
CID 55539991
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-4-cyanobenzenesulfonamide
CID 100675315
methyl 2-(4-benzoylpiperazin-1-yl)-5-sulfamoylbenzoate
CID 55534420
methyl 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-sulfamoylbenzoate
CID 55539415
methyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-sulfamoylbenzoate
CID 55540068
methyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-5-sulfamoylbenzoate
CID 55533626
methyl 2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-5-sulfamoylbenzoate
CID 55534293
methyl 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-5-sulfamoylbenzoate
CID 55539490
2-[4-(difluoromethoxy)phenyl]-4-(2-fluoro-4-methylsulfonylphenyl)morpholine
CID 139001685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate?
The IUPAC name of methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate (CID 94438401) is methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate.
What is the SMILES notation for methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate?
The canonical SMILES for methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate is COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCO[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate?
The InChIKey is MCKMRLAWTILFKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-18(22)15-10-14(27(20,23)24)6-7-16(15)21-8-9-26-17(11-21)12-2-4-13(19)5-3-12/h2-7,10,17H,8-9,11H2,1H3,(H2,20,23,24)/t17-/m0/s1.
What are the key properties of methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate?
methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate has a molecular weight of 410.88 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-5-sulfamoylbenzoate is sourced from PubChem (CID 94438401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).