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

C20H16ClNO5S — CID 2473406

IUPAC4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H16ClNO5S/c21-18-11-6-15(20(23)24)12-19(18)28(25,26)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12,22H,13H2,(H,23,24)
InChIKeyPYQCVPCMOPXJBB-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.42
Rot. Bonds7

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

4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 2473406) has the molecular formula C20H16ClNO5S and a molecular weight of 417.87 g/mol. Its IUPAC name is 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
PubChem CID2473406
Molecular FormulaC20H16ClNO5S
Molecular Weight417.87 g/mol
Exact Mass417.04
IUPAC Name4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H16ClNO5S/c21-18-11-6-15(20(23)24)12-19(18)28(25,26)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12,22H,13H2,(H,23,24)
InChIKeyPYQCVPCMOPXJBB-UHFFFAOYSA-N
XLogP4.42
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Benzyl(4-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440131
3-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
2-Methyl-5-[[4-(3-methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2470819
3-{4-[(4-Methoxyanilino)sulfonyl]phenoxy}benzoic acid
CID 1249025
2,4-Dichloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)benzoic acid
CID 1267158
4-Chloro-3-[[4-(4-ethoxyphenoxy)phenyl]sulfamoyl]benzoic acid
CID 16260127
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 24820032
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
3-[(4-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2442655
3-[[4-(4-Methylphenoxy)phenyl]sulfamoyl]benzoic acid
CID 2564859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid (CID 2473406) is 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is PYQCVPCMOPXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5S/c21-18-11-6-15(20(23)24)12-19(18)28(25,26)22-16-7-9-17(10-8-16)27-13-14-4-2-1-3-5-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid?
4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 417.87 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2473406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).