3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid

C16H16N2O5S — CID 56863848

IUPAC3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)cn1
InChIInChI=1S/C16H16N2O5S/c1-23-15-5-2-10(9-17-15)11-6-12(16(19)20)8-14(7-11)24(21,22)18-13-3-4-13/h2,5-9,13,18H,3-4H2,1H3,(H,19,20)
InChIKeyFNQVPPIRVVZFBQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.90
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid

3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid (PubChem CID 56863848) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
PubChem CID56863848
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)cn1
InChIInChI=1S/C16H16N2O5S/c1-23-15-5-2-10(9-17-15)11-6-12(16(19)20)8-14(7-11)24(21,22)18-13-3-4-13/h2,5-9,13,18H,3-4H2,1H3,(H,19,20)
InChIKeyFNQVPPIRVVZFBQ-UHFFFAOYSA-N
XLogP1.90
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-3-pyridinyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 56877298
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
3-(cyclopropylsulfamoyl)-5-quinolin-8-ylbenzoic acid
CID 56881302
3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 146102616
3-(6-methoxy-3-pyridinyl)-N-[(1S,3R)-3-(1,2,4-triazol-4-yl)cyclohexyl]-5-(trifluoromethyl)benzenesulfonamide
CID 67491092
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
CID 117082777

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid?
The IUPAC name of 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid (CID 56863848) is 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid is COc1ccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)cn1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid?
The InChIKey is FNQVPPIRVVZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-15-5-2-10(9-17-15)11-6-12(16(19)20)8-14(7-11)24(21,22)18-13-3-4-13/h2,5-9,13,18H,3-4H2,1H3,(H,19,20).
What are the key properties of 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid?
3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-5-(6-methoxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 56863848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).