2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid

C24H24Cl2N2O5S — CID 66991199

IUPAC2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(c1c(NC(C)=O)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H24Cl2N2O5S/c1-3-4-9-22(24(30)31)28(34(32,33)19-13-17(25)12-18(26)14-19)23-20-8-6-5-7-16(20)10-11-21(23)27-15(2)29/h5-8,10-14,22H,3-4,9H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyWSTMKAYOQSQLAG-UHFFFAOYSA-N
MW523.44 g/mol
LogP5.94
Rot. Bonds9

About 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid

2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid (PubChem CID 66991199) has the molecular formula C24H24Cl2N2O5S and a molecular weight of 523.44 g/mol. Its IUPAC name is 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
PubChem CID66991199
Molecular FormulaC24H24Cl2N2O5S
Molecular Weight523.44 g/mol
Exact Mass522.08
IUPAC Name2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(c1c(NC(C)=O)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H24Cl2N2O5S/c1-3-4-9-22(24(30)31)28(34(32,33)19-13-17(25)12-18(26)14-19)23-20-8-6-5-7-16(20)10-11-21(23)27-15(2)29/h5-8,10-14,22H,3-4,9H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyWSTMKAYOQSQLAG-UHFFFAOYSA-N
XLogP5.94
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.44
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66991299
2-[(5-cyanonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66908919
2-[(6-carbamoylnaphthalen-2-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66908938
2-[(3,5-dichlorophenyl)sulfonyl-[5-(1-phenylethylcarbamoyl)naphthalen-2-yl]amino]hexanoic acid
CID 66908824
2-[(3,5-dichlorophenyl)sulfonyl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908951
2-[(3,5-dichlorophenyl)sulfonyl-[5-(pyridin-2-ylmethylcarbamoyl)naphthalen-1-yl]amino]hexanoic acid
CID 66908914
2-[(3,5-dichlorophenyl)sulfonyl-[5-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]naphthalen-1-yl]amino]hexanoic acid
CID 66908953
2-[(3,5-dichlorophenyl)sulfonyl-[6-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908798
2-[(3,5-dichlorophenyl)sulfonyl-[6-(5-methyl-1,3,4-oxadiazol-2-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908840
2-[(3,5-dichlorophenyl)sulfonyl-[6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908899
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]amino]acetate
CID 91561836
2-[[2-[(3,5-dichlorophenyl)sulfonylamino]-3-phenylpropanoyl]amino]hexanoic acid
CID 20610235

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid (CID 66991199) is 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid is CCCCC(C(=O)O)N(c1c(NC(C)=O)ccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is WSTMKAYOQSQLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O5S/c1-3-4-9-22(24(30)31)28(34(32,33)19-13-17(25)12-18(26)14-19)23-20-8-6-5-7-16(20)10-11-21(23)27-15(2)29/h5-8,10-14,22H,3-4,9H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid has a molecular weight of 523.44 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 66991199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).