3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid

C10H12ClNO4S — CID 43361136

IUPAC3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-7-6-8(11)2-3-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyFUPNTQVMVHKWKS-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.40
Rot. Bonds5

About 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid

3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 43361136) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
PubChem CID43361136
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-7-6-8(11)2-3-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyFUPNTQVMVHKWKS-UHFFFAOYSA-N
XLogP1.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
2-[(4-chloro-2-methylphenyl)sulfonylamino]oxyacetic acid
CID 61062135
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
N-(3-benzylsulfonylpropyl)-4-chloro-2-methylbenzenesulfonamide
CID 55905317
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47062283
3-[(2-chloro-3-methylquinolin-8-yl)sulfonylamino]propanoic acid
CID 83171927
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid (CID 43361136) is 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid is Cc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is FUPNTQVMVHKWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7-6-8(11)2-3-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 277.73 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43361136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).