2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid

C17H14N2O5S — CID 118468092

IUPAC2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)O
InChIInChI=1S/C17H14N2O5S/c1-24-14-10-12(7-8-13(14)17(20)21)19-25(22,23)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3,(H,20,21)
InChIKeyLTFBWHKSZWWMSO-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.74
Rot. Bonds5

About 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid

2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid (PubChem CID 118468092) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
PubChem CID118468092
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)O
InChIInChI=1S/C17H14N2O5S/c1-24-14-10-12(7-8-13(14)17(20)21)19-25(22,23)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3,(H,20,21)
InChIKeyLTFBWHKSZWWMSO-UHFFFAOYSA-N
XLogP2.74
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-hydroxyazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57383048
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 90419093
N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59635113
N-[3-methoxy-4-[4-[(2-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634917
N-[4-[4-(cyclopentylmethyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59634857
N-[4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 67505073
N-[4-[4-[(2,4-difluorophenyl)methyl]piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 67505005
N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
CID 56652996
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid (CID 118468092) is 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid is COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid?
The InChIKey is LTFBWHKSZWWMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-24-14-10-12(7-8-13(14)17(20)21)19-25(22,23)15-6-2-4-11-5-3-9-18-16(11)15/h2-10,19H,1H3,(H,20,21).
What are the key properties of 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid?
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid has a molecular weight of 358.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 118468092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).