2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H12Cl2N2O5S — CID 43215462

IUPAC2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-14-10(16)5-15(2)21(19,20)9-3-6(11(17)18)7(12)4-8(9)13/h3-4H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyYLXPQGWIHMMVDH-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.06
Rot. Bonds5

About 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43215462) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43215462
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-14-10(16)5-15(2)21(19,20)9-3-6(11(17)18)7(12)4-8(9)13/h3-4H,5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyYLXPQGWIHMMVDH-UHFFFAOYSA-N
XLogP1.06
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102919424
4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 17404192
3,4-difluoro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 105112021
2-[[4-(3-aminoprop-1-ynyl)-2-chlorophenyl]sulfonyl-methylamino]-N-methylacetamide
CID 60846042
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
2-chloro-4-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 107089967
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid
CID 43323433
2-[(4-chloro-2-methyl-5-nitrophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 80718138
2,4-dichloro-5-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 78970275
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43215462) is 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CN(C)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is YLXPQGWIHMMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c1-14-10(16)5-15(2)21(19,20)9-3-6(11(17)18)7(12)4-8(9)13/h3-4H,5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 355.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43215462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).