N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide

C19H13Cl2IN2O3S — CID 126415096

IUPACN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1I
InChIInChI=1S/C19H13Cl2IN2O3S/c20-12-9-13(21)11-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-3-1-2-4-18(17)22/h1-11,24H,(H,23,25)
InChIKeyPIXXTVRILIKCCC-UHFFFAOYSA-N
MW547.20 g/mol
LogP5.65
Rot. Bonds5

About N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide (PubChem CID 126415096) has the molecular formula C19H13Cl2IN2O3S and a molecular weight of 547.20 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
PubChem CID126415096
Molecular FormulaC19H13Cl2IN2O3S
Molecular Weight547.20 g/mol
Exact Mass545.91
IUPAC NameN-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1I
InChIInChI=1S/C19H13Cl2IN2O3S/c20-12-9-13(21)11-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-3-1-2-4-18(17)22/h1-11,24H,(H,23,25)
InChIKeyPIXXTVRILIKCCC-UHFFFAOYSA-N
XLogP5.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.20
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 17069604
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217
2-iodo-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5177255
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
CID 167860654
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide (CID 126415096) is N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1I.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide?
The InChIKey is PIXXTVRILIKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2IN2O3S/c20-12-9-13(21)11-15(10-12)24-28(26,27)16-7-5-14(6-8-16)23-19(25)17-3-1-2-4-18(17)22/h1-11,24H,(H,23,25).
What are the key properties of N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide?
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide has a molecular weight of 547.20 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide is sourced from PubChem (CID 126415096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).