2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide

C11H12Cl2N2O4S — CID 60635890

IUPAC2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O4S/c12-8-6-9(13)10(20(14,17)18)5-7(8)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyAVTRWXCLWDQMCF-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.11
Rot. Bonds2

About 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide

2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 60635890) has the molecular formula C11H12Cl2N2O4S and a molecular weight of 339.20 g/mol. Its IUPAC name is 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID60635890
Molecular FormulaC11H12Cl2N2O4S
Molecular Weight339.20 g/mol
Exact Mass337.99
IUPAC Name2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O4S/c12-8-6-9(13)10(20(14,17)18)5-7(8)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H2,14,17,18)
InChIKeyAVTRWXCLWDQMCF-UHFFFAOYSA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 12698192
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 21189414
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
3-[(2,4-Dichloro-5-sulfamoyl-benzoyl)amino]propyl acetate
CID 126507183
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoyl-benzamide
CID 126508709
Methyl 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126508879
(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
2,4-dichloro-5-(1-pyrrolidinylsulfonyl)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2941547
2,4-dichloro-5-[(dimethylamino)sulfonyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2953771

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide (CID 60635890) is 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is AVTRWXCLWDQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O4S/c12-8-6-9(13)10(20(14,17)18)5-7(8)11(16)15-1-3-19-4-2-15/h5-6H,1-4H2,(H2,14,17,18).
What are the key properties of 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide?
2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 339.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60635890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).