2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide

C14H10Cl2INO3S — CID 121004678

IUPAC2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(I)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2INO3S/c1-22(20,21)9-3-4-10(12(16)7-9)14(19)18-8-2-5-11(15)13(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyQPNCZRBBFWIKGS-UHFFFAOYSA-N
MW470.12 g/mol
LogP4.25
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide

2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide (PubChem CID 121004678) has the molecular formula C14H10Cl2INO3S and a molecular weight of 470.12 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
PubChem CID121004678
Molecular FormulaC14H10Cl2INO3S
Molecular Weight470.12 g/mol
Exact Mass468.88
IUPAC Name2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(I)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2INO3S/c1-22(20,21)9-3-4-10(12(16)7-9)14(19)18-8-2-5-11(15)13(17)6-8/h2-7H,1H3,(H,18,19)
InChIKeyQPNCZRBBFWIKGS-UHFFFAOYSA-N
XLogP4.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.12
LogP ≤ 54.25
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

2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
4-N-[4-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424136
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
2-chloro-N-[3-[(4R)-4-iodocyclononyl]phenyl]-4-methylsulfonylbenzamide
CID 163452412
N-[3-(1-benzothiophen-2-yl)phenyl]-2-chloro-4-methylsulfonylbenzamide
CID 142392205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide (CID 121004678) is 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(I)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide?
The InChIKey is QPNCZRBBFWIKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INO3S/c1-22(20,21)9-3-4-10(12(16)7-9)14(19)18-8-2-5-11(15)13(17)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide?
2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide has a molecular weight of 470.12 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-iodophenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 121004678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).