3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide

C15H14ClIN2O3S — CID 28636371

IUPAC3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-9-7-11(17)4-6-13(9)18-15(20)10-3-5-14(12(16)8-10)19-23(2,21)22/h3-8,19H,1-2H3,(H,18,20)
InChIKeyIGWATGZDEUSSDL-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.88
Rot. Bonds4

About 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide

3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide (PubChem CID 28636371) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
PubChem CID28636371
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC Name3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-9-7-11(17)4-6-13(9)18-15(20)10-3-5-14(12(16)8-10)19-23(2,21)22/h3-8,19H,1-2H3,(H,18,20)
InChIKeyIGWATGZDEUSSDL-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.71
LogP ≤ 53.88
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-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
3-chloro-4-(methanesulfonamido)-N-(2,4,5-trichlorophenyl)benzamide
CID 28636075
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 3587914
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
3-chloro-4-(methanesulfonamido)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 99949514
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide (CID 28636371) is 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is IGWATGZDEUSSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c1-9-7-11(17)4-6-13(9)18-15(20)10-3-5-14(12(16)8-10)19-23(2,21)22/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 464.71 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 28636371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).