2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid

C19H15ClN2O5S — CID 67043907

IUPAC2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)O
InChIInChI=1S/C19H15ClN2O5S/c20-12-1-3-13(4-2-12)22-28(25,26)16-8-5-14(6-9-16)27-15-7-10-18(21)17(11-15)19(23)24/h1-11,22H,21H2,(H,23,24)
InChIKeyQGXIRIYISXRPGW-UHFFFAOYSA-N
MW418.86 g/mol
LogP4.21
Rot. Bonds6

About 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid

2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid (PubChem CID 67043907) has the molecular formula C19H15ClN2O5S and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid
PubChem CID67043907
Molecular FormulaC19H15ClN2O5S
Molecular Weight418.86 g/mol
Exact Mass418.04
IUPAC Name2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid
SMILESNc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)O
InChIInChI=1S/C19H15ClN2O5S/c20-12-1-3-13(4-2-12)22-28(25,26)16-8-5-14(6-9-16)27-15-7-10-18(21)17(11-15)19(23)24/h1-11,22H,21H2,(H,23,24)
InChIKeyQGXIRIYISXRPGW-UHFFFAOYSA-N
XLogP4.21
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid?
The IUPAC name of 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid (CID 67043907) is 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid.
What is the SMILES notation for 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid?
The canonical SMILES for 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid is Nc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid?
The InChIKey is QGXIRIYISXRPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5S/c20-12-1-3-13(4-2-12)22-28(25,26)16-8-5-14(6-9-16)27-15-7-10-18(21)17(11-15)19(23)24/h1-11,22H,21H2,(H,23,24).
What are the key properties of 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid?
2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid has a molecular weight of 418.86 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]benzoic acid is sourced from PubChem (CID 67043907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).