4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

C13H16ClN2O5S- — CID 4218611

IUPAC4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(N2CCOCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O5S/c1-15(2)22(19,20)12-7-9(13(17)18)11(8-10(12)14)16-3-5-21-6-4-16/h7-8H,3-6H2,1-2H3,(H,17,18)/p-1
InChIKeyGBGKMISELOQFCM-UHFFFAOYSA-M
MW347.80 g/mol
LogP-0.21
Rot. Bonds4

About 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate

4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (PubChem CID 4218611) has the molecular formula C13H16ClN2O5S- and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
PubChem CID4218611
Molecular FormulaC13H16ClN2O5S-
Molecular Weight347.80 g/mol
Exact Mass347.05
IUPAC Name4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)[O-])c(N2CCOCC2)cc1Cl
InChIInChI=1S/C13H17ClN2O5S/c1-15(2)22(19,20)12-7-9(13(17)18)11(8-10(12)14)16-3-5-21-6-4-16/h7-8H,3-6H2,1-2H3,(H,17,18)/p-1
InChIKeyGBGKMISELOQFCM-UHFFFAOYSA-M
XLogP-0.21
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
CID 3497323
2-chloro-5-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoic acid
CID 21430471
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 16763255
4-chloro-5-(diethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
CID 4166566
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7326704
2-morpholin-4-yl-5-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate
CID 2275514
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The IUPAC name of 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate (CID 4218611) is 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(N2CCOCC2)cc1Cl.
What is the InChIKey of 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
The InChIKey is GBGKMISELOQFCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17ClN2O5S/c1-15(2)22(19,20)12-7-9(13(17)18)11(8-10(12)14)16-3-5-21-6-4-16/h7-8H,3-6H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate?
4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate has a molecular weight of 347.80 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 4218611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).