2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid

C19H16ClNO4S — CID 50894055

IUPAC2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
SMILESCC(C(=O)O)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO4S/c1-13(19(22)23)21(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3,(H,22,23)
InChIKeyBNAGULJXGDVGFM-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.16
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid

2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid (PubChem CID 50894055) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
PubChem CID50894055
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
SMILESCC(C(=O)O)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO4S/c1-13(19(22)23)21(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3,(H,22,23)
InChIKeyBNAGULJXGDVGFM-UHFFFAOYSA-N
XLogP4.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
2-(N-(4-chlorophenyl)sulfonyl-4-iodoanilino)propanoic acid
CID 50891110
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
CID 50893823
2-(2,4,5-trichloro-N-(4-chlorophenyl)sulfonylanilino)propanoic acid
CID 50895404
2-(4-chloro-3-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50895535
5-[1-carboxyethyl-(4-methylphenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894699
(2S)-2-(3-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945615
2-(N-(4-chlorophenyl)sulfonyl-2,6-diethylanilino)propanoic acid
CID 50895805
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895674
2-(4-chloro-N-(3,4-dichlorophenyl)sulfonyl-3-methylanilino)propanoic acid
CID 50895432

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid (CID 50894055) is 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid is CC(C(=O)O)N(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid?
The InChIKey is BNAGULJXGDVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-13(19(22)23)21(26(24,25)18-10-7-16(20)8-11-18)17-9-6-14-4-2-3-5-15(14)12-17/h2-13H,1H3,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid?
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid has a molecular weight of 389.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid is sourced from PubChem (CID 50894055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).