4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide

C14H13IN2O3S — CID 61034623

IUPAC4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(I)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13IN2O3S/c1-9-12(3-2-4-13(9)21(16,19)20)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyCHMJTHPTFSKQNZ-UHFFFAOYSA-N
MW416.24 g/mol
LogP2.50
Rot. Bonds3

About 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide

4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide (PubChem CID 61034623) has the molecular formula C14H13IN2O3S and a molecular weight of 416.24 g/mol. Its IUPAC name is 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
PubChem CID61034623
Molecular FormulaC14H13IN2O3S
Molecular Weight416.24 g/mol
Exact Mass415.97
IUPAC Name4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
SMILESCc1c(NC(=O)c2ccc(I)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13IN2O3S/c1-9-12(3-2-4-13(9)21(16,19)20)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyCHMJTHPTFSKQNZ-UHFFFAOYSA-N
XLogP2.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 52.50
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

4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
2-fluoro-N-(2-methyl-3-sulfamoylphenyl)pyridine-4-carboxamide
CID 61293813
6-methyl-N-(2-methyl-3-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129334
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
N-(2-methyl-3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130286
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 34857713
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide?
The IUPAC name of 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide (CID 61034623) is 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide is Cc1c(NC(=O)c2ccc(I)cc2)cccc1S(N)(=O)=O.
What is the InChIKey of 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide?
The InChIKey is CHMJTHPTFSKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3S/c1-9-12(3-2-4-13(9)21(16,19)20)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide?
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide has a molecular weight of 416.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 61034623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).