3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid

C16H15Cl2NO4S — CID 69334177

IUPAC3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid
SMILESCc1c(Cl)ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-11-13(17)7-8-14(16(11)18)24(22,23)19(10-9-15(20)21)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyOUZFEUMMSCKSHC-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.97
Rot. Bonds6

About 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid

3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid (PubChem CID 69334177) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid
PubChem CID69334177
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid
SMILESCc1c(Cl)ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)c1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-11-13(17)7-8-14(16(11)18)24(22,23)19(10-9-15(20)21)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyOUZFEUMMSCKSHC-UHFFFAOYSA-N
XLogP3.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89326526
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CID 50892137
3-(4-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50889885
3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
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CID 1486714
3-[N-(1H-pyrrol-3-ylsulfonyl)anilino]propanoic acid
CID 60830003
3-(N-(2-bromo-4-methylphenyl)sulfonylanilino)propanamide
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CID 50895710

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid?
The IUPAC name of 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid (CID 69334177) is 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid.
What is the SMILES notation for 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid?
The canonical SMILES for 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid is Cc1c(Cl)ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)c1Cl.
What is the InChIKey of 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid?
The InChIKey is OUZFEUMMSCKSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-11-13(17)7-8-14(16(11)18)24(22,23)19(10-9-15(20)21)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid?
3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid has a molecular weight of 388.27 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid is sourced from PubChem (CID 69334177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).