4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid

C20H17NO5S — CID 154858217

IUPAC4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2)cc1
InChIInChI=1S/C20H17NO5S/c22-20(23)16-9-11-19(12-10-16)27(24,25)21-17-6-4-5-15(13-17)14-26-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23)
InChIKeyVXSNCHSOHWKGFK-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.76
Rot. Bonds7

About 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid

4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 154858217) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
PubChem CID154858217
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2)cc1
InChIInChI=1S/C20H17NO5S/c22-20(23)16-9-11-19(12-10-16)27(24,25)21-17-6-4-5-15(13-17)14-26-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23)
InChIKeyVXSNCHSOHWKGFK-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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Related Compounds

4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
4-[[3-(diphenylphosphorylmethyl)phenyl]sulfamoyl]benzoic acid
CID 2041723
5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142866107
N-[3-[(4-ethoxyphenoxy)methyl]phenyl]-4-methylbenzenesulfonamide
CID 169372191
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708
4-phenylmethoxybenzoic acid
CID 68896574
(3-phenylmethoxyphenyl)sulfamic acid
CID 10193116
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
N-[3-(3,3-difluoro-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175149395

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid (CID 154858217) is 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2)cc1.
What is the InChIKey of 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is VXSNCHSOHWKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c22-20(23)16-9-11-19(12-10-16)27(24,25)21-17-6-4-5-15(13-17)14-26-18-7-2-1-3-8-18/h1-13,21H,14H2,(H,22,23).
What are the key properties of 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid?
4-[[3-(phenoxymethyl)phenyl]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 4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 154858217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).