2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid

C20H17ClN2O7S2 — CID 3637461

IUPAC2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C20H17ClN2O7S2/c1-30-19-8-3-2-7-18(19)23-32(28,29)14-6-4-5-13(11-14)22-31(26,27)15-9-10-17(21)16(12-15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
InChIKeyYJLMZPLMKQPOGK-UHFFFAOYSA-N
MW496.95 g/mol
LogP3.65
Rot. Bonds8

About 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid

2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid (PubChem CID 3637461) has the molecular formula C20H17ClN2O7S2 and a molecular weight of 496.95 g/mol. Its IUPAC name is 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
PubChem CID3637461
Molecular FormulaC20H17ClN2O7S2
Molecular Weight496.95 g/mol
Exact Mass496.02
IUPAC Name2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C20H17ClN2O7S2/c1-30-19-8-3-2-7-18(19)23-32(28,29)14-6-4-5-13(11-14)22-31(26,27)15-9-10-17(21)16(12-15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
InChIKeyYJLMZPLMKQPOGK-UHFFFAOYSA-N
XLogP3.65
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic Acid
CID 2473406
2-Chloro-5-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3891892
2-[2-[(4-Chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798264
2-[2-[(4-Chlorophenyl)sulfonylamino]-4-fluorophenoxy]benzoic acid
CID 49798292
2-[4-Chloro-2-[(4-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
CID 49798323
2-[2-[(4-Chlorophenyl)sulfonylamino]-5-methylphenoxy]benzoic acid
CID 49798326
4-Methoxy-3-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 3920847
2,4-Dichloro-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 1322543
3-[(2-Phenoxyphenyl)sulfamoyl]benzoic acid
CID 2466116
[2-(2,4-Dichlorophenyl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2351467
4-[[4-Chloro-2-[(4-fluorophenyl)sulfonylamino]phenoxy]methyl]benzoic acid
CID 177311365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid (CID 3637461) is 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid is COc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid?
The InChIKey is YJLMZPLMKQPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O7S2/c1-30-19-8-3-2-7-18(19)23-32(28,29)14-6-4-5-13(11-14)22-31(26,27)15-9-10-17(21)16(12-15)20(24)25/h2-12,22-23H,1H3,(H,24,25).
What are the key properties of 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid?
2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid has a molecular weight of 496.95 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 3637461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).