4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid

C22H18Cl2N2O7S — CID 11977883

IUPAC4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C22H18Cl2N2O7S/c1-32-19-10-13(21(27)25-14-5-3-12(4-6-14)22(28)29)9-18(20(19)33-2)26-34(30,31)15-7-8-16(23)17(24)11-15/h3-11,26H,1-2H3,(H,25,27)(H,28,29)
InChIKeyKWFXPHFQXSUTSU-UHFFFAOYSA-N
MW525.37 g/mol
LogP4.76
Rot. Bonds8

About 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid

4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid (PubChem CID 11977883) has the molecular formula C22H18Cl2N2O7S and a molecular weight of 525.37 g/mol. Its IUPAC name is 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
PubChem CID11977883
Molecular FormulaC22H18Cl2N2O7S
Molecular Weight525.37 g/mol
Exact Mass524.02
IUPAC Name4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1OC
InChIInChI=1S/C22H18Cl2N2O7S/c1-32-19-10-13(21(27)25-14-5-3-12(4-6-14)22(28)29)9-18(20(19)33-2)26-34(30,31)15-7-8-16(23)17(24)11-15/h3-11,26H,1-2H3,(H,25,27)(H,28,29)
InChIKeyKWFXPHFQXSUTSU-UHFFFAOYSA-N
XLogP4.76
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.37
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid with MolForge

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606
3,4-dimethoxy-5-(thiophen-3-ylsulfonylamino)benzoic acid
CID 167759672
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid?
The IUPAC name of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid (CID 11977883) is 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid is COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1OC.
What is the InChIKey of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid?
The InChIKey is KWFXPHFQXSUTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O7S/c1-32-19-10-13(21(27)25-14-5-3-12(4-6-14)22(28)29)9-18(20(19)33-2)26-34(30,31)15-7-8-16(23)17(24)11-15/h3-11,26H,1-2H3,(H,25,27)(H,28,29).
What are the key properties of 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid?
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid has a molecular weight of 525.37 g/mol, XLogP of 4.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid is sourced from PubChem (CID 11977883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).