5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide

C15H14ClIN2O3S — CID 46453145

IUPAC5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2I)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-23(21,22)19-12-4-2-3-10(7-12)9-18-15(20)13-8-11(16)5-6-14(13)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyBUAJIMXAJCXAHY-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide

5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide (PubChem CID 46453145) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
PubChem CID46453145
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC Name5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2I)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-23(21,22)19-12-4-2-3-10(7-12)9-18-15(20)13-8-11(16)5-6-14(13)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyBUAJIMXAJCXAHY-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.71
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]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

2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
N-(1-benzofuran-6-ylmethyl)-5-chloro-2-iodobenzamide
CID 166212980
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
5-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46482881
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
N-[3-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 46453642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide (CID 46453145) is 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide is CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2I)c1.
What is the InChIKey of 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The InChIKey is BUAJIMXAJCXAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c1-23(21,22)19-12-4-2-3-10(7-12)9-18-15(20)13-8-11(16)5-6-14(13)17/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide has a molecular weight of 464.71 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide is sourced from PubChem (CID 46453145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).