N-(4-bromo-2-iodophenyl)methanesulfonamide

C7H7BrINO2S — CID 119088640

IUPACN-(4-bromo-2-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C7H7BrINO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyPWVTWHMHSOOADY-UHFFFAOYSA-N
MW376.01 g/mol
LogP2.43
Rot. Bonds2

About N-(4-bromo-2-iodophenyl)methanesulfonamide

N-(4-bromo-2-iodophenyl)methanesulfonamide (PubChem CID 119088640) has the molecular formula C7H7BrINO2S and a molecular weight of 376.01 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)methanesulfonamide
PubChem CID119088640
Molecular FormulaC7H7BrINO2S
Molecular Weight376.01 g/mol
Exact Mass374.84
IUPAC NameN-(4-bromo-2-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)cc1I
InChIInChI=1S/C7H7BrINO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3
InChIKeyPWVTWHMHSOOADY-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.01
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-iodophenyl)methanesulfonamide 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

N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
CID 11617489
N-(4-bromo-2-iodophenyl)carbamate
CID 23023627
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide
CID 90022792
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
3-(4-bromo-2-iodoanilino)propanoic acid
CID 131118680
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-2-iodophenyl)methanesulfonamide (CID 119088640) is N-(4-bromo-2-iodophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-2-iodophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(Br)cc1I.
What is the InChIKey of N-(4-bromo-2-iodophenyl)methanesulfonamide?
The InChIKey is PWVTWHMHSOOADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrINO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3.
What are the key properties of N-(4-bromo-2-iodophenyl)methanesulfonamide?
N-(4-bromo-2-iodophenyl)methanesulfonamide has a molecular weight of 376.01 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)methanesulfonamide is sourced from PubChem (CID 119088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).