4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide

C15H14ClIN2O3S — CID 100786584

IUPAC4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cc(C(=O)Nc2ccc(I)cc2)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H14ClIN2O3S/c1-19(23(2,21)22)14-9-10(3-8-13(14)16)15(20)18-12-6-4-11(17)5-7-12/h3-9H,1-2H3,(H,18,20)
InChIKeyRZVBXGLBMCSBMQ-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide

4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 100786584) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID100786584
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC Name4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1cc(C(=O)Nc2ccc(I)cc2)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H14ClIN2O3S/c1-19(23(2,21)22)14-9-10(3-8-13(14)16)15(20)18-12-6-4-11(17)5-7-12/h3-9H,1-2H3,(H,18,20)
InChIKeyRZVBXGLBMCSBMQ-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786432
4-[[5-iodo-2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzenesulfonyl chloride
CID 166075254
4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide (CID 100786584) is 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide is CN(c1cc(C(=O)Nc2ccc(I)cc2)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is RZVBXGLBMCSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c1-19(23(2,21)22)14-9-10(3-8-13(14)16)15(20)18-12-6-4-11(17)5-7-12/h3-9H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide?
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 464.71 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 100786584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).