3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid

C20H17NO5S — CID 2369482

IUPAC3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H17NO5S/c22-20(23)16-7-4-8-19(13-16)27(24,25)21-17-9-11-18(12-10-17)26-14-15-5-2-1-3-6-15/h1-13,21H,14H2,(H,22,23)
InChIKeyJCPVFSKGIIVYIS-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.76
Rot. Bonds7

About 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid

3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2369482) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2369482
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H17NO5S/c22-20(23)16-7-4-8-19(13-16)27(24,25)21-17-9-11-18(12-10-17)26-14-15-5-2-1-3-6-15/h1-13,21H,14H2,(H,22,23)
InChIKeyJCPVFSKGIIVYIS-UHFFFAOYSA-N
XLogP3.76
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid (CID 2369482) is 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is JCPVFSKGIIVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c22-20(23)16-7-4-8-19(13-16)27(24,25)21-17-9-11-18(12-10-17)26-14-15-5-2-1-3-6-15/h1-13,21H,14H2,(H,22,23).
What are the key properties of 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 383.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2369482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).