N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide

C20H16ClIN2O4S — CID 3326698

IUPACN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl
InChIInChI=1S/C20H16ClIN2O4S/c1-28-18-9-5-4-8-17(18)24-29(26,27)19-12-13(10-11-15(19)21)23-20(25)14-6-2-3-7-16(14)22/h2-12,24H,1H3,(H,23,25)
InChIKeyWUMWUKMAYMXCGG-UHFFFAOYSA-N
MW542.78 g/mol
LogP5.01
Rot. Bonds6

About N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide

N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide (PubChem CID 3326698) has the molecular formula C20H16ClIN2O4S and a molecular weight of 542.78 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
PubChem CID3326698
Molecular FormulaC20H16ClIN2O4S
Molecular Weight542.78 g/mol
Exact Mass541.96
IUPAC NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl
InChIInChI=1S/C20H16ClIN2O4S/c1-28-18-9-5-4-8-17(18)24-29(26,27)19-12-13(10-11-15(19)21)23-20(25)14-6-2-3-7-16(14)22/h2-12,24H,1H3,(H,23,25)
InChIKeyWUMWUKMAYMXCGG-UHFFFAOYSA-N
XLogP5.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.78
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-phenylimidazole-4-carboxamide
CID 17422285
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4876435
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501778
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide (CID 3326698) is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The InChIKey is WUMWUKMAYMXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClIN2O4S/c1-28-18-9-5-4-8-17(18)24-29(26,27)19-12-13(10-11-15(19)21)23-20(25)14-6-2-3-7-16(14)22/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide?
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide has a molecular weight of 542.78 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide is sourced from PubChem (CID 3326698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).