3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid

C10H12ClNO4S — CID 43245307

IUPAC3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-7-2-3-8(11)6-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyFNQCUDFLLRDWFL-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.40
Rot. Bonds5

About 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid

3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 43245307) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
PubChem CID43245307
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCC(=O)O
InChIInChI=1S/C10H12ClNO4S/c1-7-2-3-8(11)6-9(7)17(15,16)12-5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyFNQCUDFLLRDWFL-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

3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
3-[(5-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 64700558
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
2-[[(5-chloro-2-methylphenyl)sulfonylamino]methyl]-2-ethylbutanoic acid
CID 115429946
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24634429

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid (CID 43245307) is 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid is Cc1ccc(Cl)cc1S(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is FNQCUDFLLRDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7-2-3-8(11)6-9(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-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid?
3-[(5-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-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43245307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).