3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

C18H15NO5S — CID 15944049

IUPAC3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c2ccccc12
InChIInChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyJZHNKEXLWCIYFC-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.35
Rot. Bonds5

About 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid

3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid (PubChem CID 15944049) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
PubChem CID15944049
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c2ccccc12
InChIInChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
InChIKeyJZHNKEXLWCIYFC-UHFFFAOYSA-N
XLogP3.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid (CID 15944049) is 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c2ccccc12.
What is the InChIKey of 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
The InChIKey is JZHNKEXLWCIYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21).
What are the key properties of 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid?
3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid has a molecular weight of 357.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 15944049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).