4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid

C19H14ClNO5S — CID 3530954

IUPAC4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C19H14ClNO5S/c20-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)21-14-7-5-13(6-8-14)19(22)23/h1-12,21H,(H,22,23)
InChIKeyOMOBIVNVBIPQNK-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.63
Rot. Bonds6

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

4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid (PubChem CID 3530954) has the molecular formula C19H14ClNO5S and a molecular weight of 403.84 g/mol. Its IUPAC name is 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid
PubChem CID3530954
Molecular FormulaC19H14ClNO5S
Molecular Weight403.84 g/mol
Exact Mass403.03
IUPAC Name4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C19H14ClNO5S/c20-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)21-14-7-5-13(6-8-14)19(22)23/h1-12,21H,(H,22,23)
InChIKeyOMOBIVNVBIPQNK-UHFFFAOYSA-N
XLogP4.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((4-(2-Chlorophenoxy)phenyl)sulfonamido)methyl)benzoic acid
CID 2241575
4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic Acid
CID 2473406
4-[[4-(4-Methylphenoxy)phenyl]sulfonylamino]benzoic acid
CID 4854241
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
2-[2-Chloro-6-[(4-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798325
4-(4-Chloro-3-propoxybenzenesulfonamido)benzoic acid
CID 20105362
Methyl [4-({[4-(aminocarbonyl)phenyl]amino}sulfonyl)-2-chlorophenoxy]acetate
CID 1298081
4-(4-Butoxy-3-methylbenzenesulfonamido)benzoic acid
CID 16645216
4-{[(4-Methoxyphenyl)sulfonyl]amino}benzoic acid
CID 763899
2-Hydroxy-4-(4-phenoxyphenyl-sulfonamido) benzoic acid
CID 68002746
4-((4-(2-Methoxyphenoxy)phenyl)sulfonamido)benzoic acid
CID 3492682
4-(4-Ethoxybenzenesulfonamido)benzoic acid
CID 3862080

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid (CID 3530954) is 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid?
The InChIKey is OMOBIVNVBIPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5S/c20-17-3-1-2-4-18(17)26-15-9-11-16(12-10-15)27(24,25)21-14-7-5-13(6-8-14)19(22)23/h1-12,21H,(H,22,23).
What are the key properties of 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid?
4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid has a molecular weight of 403.84 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 3530954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).