4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid

C19H16N2O5S — CID 55645126

IUPAC4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-19(23)14-7-9-18(10-8-14)27(24,25)21-15-5-3-6-17(12-15)26-13-16-4-1-2-11-20-16/h1-12,21H,13H2,(H,22,23)
InChIKeySRWIHGXVRCAUJS-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.16
Rot. Bonds7

About 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid

4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid (PubChem CID 55645126) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
PubChem CID55645126
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1
InChIInChI=1S/C19H16N2O5S/c22-19(23)14-7-9-18(10-8-14)27(24,25)21-15-5-3-6-17(12-15)26-13-16-4-1-2-11-20-16/h1-12,21H,13H2,(H,22,23)
InChIKeySRWIHGXVRCAUJS-UHFFFAOYSA-N
XLogP3.16
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
CID 52838954

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid (CID 55645126) is 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1.
What is the InChIKey of 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid?
The InChIKey is SRWIHGXVRCAUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c22-19(23)14-7-9-18(10-8-14)27(24,25)21-15-5-3-6-17(12-15)26-13-16-4-1-2-11-20-16/h1-12,21H,13H2,(H,22,23).
What are the key properties of 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid?
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid has a molecular weight of 384.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 55645126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).