3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid

C11H15ClN2O4S — CID 43699684

IUPAC3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
SMILESCN(C)c1c(Cl)cccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H15ClN2O4S/c1-14(2)11-8(12)4-3-5-9(11)13-19(17,18)7-6-10(15)16/h3-5,13H,6-7H2,1-2H3,(H,15,16)
InChIKeyORMMCVMALIIZCB-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.62
Rot. Bonds6

About 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid

3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid (PubChem CID 43699684) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
PubChem CID43699684
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
SMILESCN(C)c1c(Cl)cccc1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H15ClN2O4S/c1-14(2)11-8(12)4-3-5-9(11)13-19(17,18)7-6-10(15)16/h3-5,13H,6-7H2,1-2H3,(H,15,16)
InChIKeyORMMCVMALIIZCB-UHFFFAOYSA-N
XLogP1.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
6-[3-chloro-2-(dimethylamino)anilino]-6-oxohexanoic acid
CID 60940353
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
3-[[2-[[acetyl(methyl)amino]methyl]phenyl]sulfamoyl]propanoic acid
CID 43708606
3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 43709519
4-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 60532248
3-[[2-(diethylaminomethyl)phenyl]sulfamoyl]propanoic acid
CID 43715678
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
N-[3-chloro-2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 62997649
3-[(2-bromo-3-chlorophenyl)sulfamoyl-methylamino]propanoic acid
CID 103477657
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid (CID 43699684) is 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid is CN(C)c1c(Cl)cccc1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid?
The InChIKey is ORMMCVMALIIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-14(2)11-8(12)4-3-5-9(11)13-19(17,18)7-6-10(15)16/h3-5,13H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid?
3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid has a molecular weight of 306.77 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43699684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).