4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid

C22H19ClN2O6S — CID 177311375

IUPAC4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H19ClN2O6S/c1-14(26)24-18-7-9-19(10-8-18)32(29,30)25-20-12-17(23)6-11-21(20)31-13-15-2-4-16(5-3-15)22(27)28/h2-12,25H,13H2,1H3,(H,24,26)(H,27,28)
InChIKeyRSZMBAAMRNLJHG-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.38
Rot. Bonds8

About 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid

4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid (PubChem CID 177311375) has the molecular formula C22H19ClN2O6S and a molecular weight of 474.92 g/mol. Its IUPAC name is 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
PubChem CID177311375
Molecular FormulaC22H19ClN2O6S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC Name4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C22H19ClN2O6S/c1-14(26)24-18-7-9-19(10-8-18)32(29,30)25-20-12-17(23)6-11-21(20)31-13-15-2-4-16(5-3-15)22(27)28/h2-12,25H,13H2,1H3,(H,24,26)(H,27,28)
InChIKeyRSZMBAAMRNLJHG-UHFFFAOYSA-N
XLogP4.38
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid with MolForge

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Related Compounds

ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
CID 177311356
N-[4-[[5-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 177311374
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
4-[[2-(benzenesulfonamido)-4-chloro-5-methylphenoxy]methyl]benzoic acid
CID 22672083
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
4-[[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-N-methylbenzamide
CID 24633180
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
4-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoic acid
CID 11620001
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid?
The IUPAC name of 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid (CID 177311375) is 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid?
The InChIKey is RSZMBAAMRNLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6S/c1-14(26)24-18-7-9-19(10-8-18)32(29,30)25-20-12-17(23)6-11-21(20)31-13-15-2-4-16(5-3-15)22(27)28/h2-12,25H,13H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid?
4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid has a molecular weight of 474.92 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid is sourced from PubChem (CID 177311375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).