2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide

C13H12IN3O3S — CID 60729880

IUPAC2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C13H12IN3O3S/c14-12-7-2-1-6-11(12)13(18)16-9-4-3-5-10(8-9)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20)
InChIKeyIMKFTPQZUOLYRD-UHFFFAOYSA-N
MW417.23 g/mol
LogP2.16
Rot. Bonds4

About 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide

2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide (PubChem CID 60729880) has the molecular formula C13H12IN3O3S and a molecular weight of 417.23 g/mol. Its IUPAC name is 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
PubChem CID60729880
Molecular FormulaC13H12IN3O3S
Molecular Weight417.23 g/mol
Exact Mass416.96
IUPAC Name2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C13H12IN3O3S/c14-12-7-2-1-6-11(12)13(18)16-9-4-3-5-10(8-9)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20)
InChIKeyIMKFTPQZUOLYRD-UHFFFAOYSA-N
XLogP2.16
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164
N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide
CID 175183969
2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
CID 60732619
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
2-propan-2-yl-N-[3-(sulfamoylamino)phenyl]quinoline-4-carboxamide
CID 55551086
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
N-[4-(carbamoylamino)phenyl]-2-iodobenzamide
CID 33152104
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide (CID 60729880) is 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide is NS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide?
The InChIKey is IMKFTPQZUOLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O3S/c14-12-7-2-1-6-11(12)13(18)16-9-4-3-5-10(8-9)17-21(15,19)20/h1-8,17H,(H,16,18)(H2,15,19,20).
What are the key properties of 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide?
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide has a molecular weight of 417.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide is sourced from PubChem (CID 60729880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).