4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide

C16H16ClIN2O4S — CID 55956275

IUPAC4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1OC
InChIInChI=1S/C16H16ClIN2O4S/c1-3-25(22,23)20-14-7-5-11(9-15(14)24-2)19-16(21)10-4-6-12(17)13(18)8-10/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyHIVHANFAADZVRH-UHFFFAOYSA-N
MW494.74 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide

4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide (PubChem CID 55956275) has the molecular formula C16H16ClIN2O4S and a molecular weight of 494.74 g/mol. Its IUPAC name is 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
PubChem CID55956275
Molecular FormulaC16H16ClIN2O4S
Molecular Weight494.74 g/mol
Exact Mass493.96
IUPAC Name4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1OC
InChIInChI=1S/C16H16ClIN2O4S/c1-3-25(22,23)20-14-7-5-11(9-15(14)24-2)19-16(21)10-4-6-12(17)13(18)8-10/h4-9,20H,3H2,1-2H3,(H,19,21)
InChIKeyHIVHANFAADZVRH-UHFFFAOYSA-N
XLogP3.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.74
LogP ≤ 53.97
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-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-nitrobenzamide
CID 155561273
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
4-butoxy-3-chloro-5-ethoxy-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948208
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948591
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide
CID 55802188
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
4-[(4-chlorophenyl)methoxy]-N-[4-(ethylsulfonylamino)phenyl]-3-methoxybenzamide
CID 55959946
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide?
The IUPAC name of 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide (CID 55956275) is 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide?
The canonical SMILES for 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide?
The InChIKey is HIVHANFAADZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O4S/c1-3-25(22,23)20-14-7-5-11(9-15(14)24-2)19-16(21)10-4-6-12(17)13(18)8-10/h4-9,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide?
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide has a molecular weight of 494.74 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide is sourced from PubChem (CID 55956275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).