5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid

C19H14ClNO6S — CID 4848510

IUPAC5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C19H14ClNO6S/c20-12-6-9-18(27-13-4-2-1-3-5-13)16(10-12)21-28(25,26)14-7-8-17(22)15(11-14)19(23)24/h1-11,21-22H,(H,23,24)
InChIKeyCYHIODSQJIJZQD-UHFFFAOYSA-N
MW419.84 g/mol
LogP4.34
Rot. Bonds6

About 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid

5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 4848510) has the molecular formula C19H14ClNO6S and a molecular weight of 419.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID4848510
Molecular FormulaC19H14ClNO6S
Molecular Weight419.84 g/mol
Exact Mass419.02
IUPAC Name5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1O
InChIInChI=1S/C19H14ClNO6S/c20-12-6-9-18(27-13-4-2-1-3-5-13)16(10-12)21-28(25,26)14-7-8-17(22)15(11-14)19(23)24/h1-11,21-22H,(H,23,24)
InChIKeyCYHIODSQJIJZQD-UHFFFAOYSA-N
XLogP4.34
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 19430534
CID 19430534
CID 45486016
CID 45486016
CID 49798264
CID 49798264
CID 49798265
CID 49798265
CID 49798289
CID 49798289
CID 49798291
CID 49798291
CID 49798292
CID 49798292
CID 49798323
CID 49798323
CID 49798325
CID 49798325
CID 49798326
CID 49798326
CID 49798347
CID 49798347
CID 49798348
CID 49798348

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid (CID 4848510) is 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1O.
What is the InChIKey of 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is CYHIODSQJIJZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO6S/c20-12-6-9-18(27-13-4-2-1-3-5-13)16(10-12)21-28(25,26)14-7-8-17(22)15(11-14)19(23)24/h1-11,21-22H,(H,23,24).
What are the key properties of 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 419.84 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-phenoxyphenyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 4848510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).