N-(3-iodophenyl)-3-methylsulfonylbenzamide

C14H12INO3S — CID 16545735

IUPACN-(3-iodophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H12INO3S/c1-20(18,19)13-7-2-4-10(8-13)14(17)16-12-6-3-5-11(15)9-12/h2-9H,1H3,(H,16,17)
InChIKeyUBUUYQHHDRSYMX-UHFFFAOYSA-N
MW401.23 g/mol
LogP2.95
Rot. Bonds3

About N-(3-iodophenyl)-3-methylsulfonylbenzamide

N-(3-iodophenyl)-3-methylsulfonylbenzamide (PubChem CID 16545735) has the molecular formula C14H12INO3S and a molecular weight of 401.23 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methylsulfonylbenzamide
PubChem CID16545735
Molecular FormulaC14H12INO3S
Molecular Weight401.23 g/mol
Exact Mass400.96
IUPAC NameN-(3-iodophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C14H12INO3S/c1-20(18,19)13-7-2-4-10(8-13)14(17)16-12-6-3-5-11(15)9-12/h2-9H,1H3,(H,16,17)
InChIKeyUBUUYQHHDRSYMX-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 52.95
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

3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-iodophenyl)-3-methylsulfonylbenzamide (CID 16545735) is N-(3-iodophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-iodophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2cccc(I)c2)c1.
What is the InChIKey of N-(3-iodophenyl)-3-methylsulfonylbenzamide?
The InChIKey is UBUUYQHHDRSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO3S/c1-20(18,19)13-7-2-4-10(8-13)14(17)16-12-6-3-5-11(15)9-12/h2-9H,1H3,(H,16,17).
What are the key properties of N-(3-iodophenyl)-3-methylsulfonylbenzamide?
N-(3-iodophenyl)-3-methylsulfonylbenzamide has a molecular weight of 401.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 16545735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).