4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide

C17H18ClIN2O3S — CID 2136188

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccccc1I)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClIN2O3S/c1-21(25(23,24)14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)
InChIKeyMSEZMBAFCWGPTC-UHFFFAOYSA-N
MW492.77 g/mol
LogP3.98
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide (PubChem CID 2136188) has the molecular formula C17H18ClIN2O3S and a molecular weight of 492.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide
PubChem CID2136188
Molecular FormulaC17H18ClIN2O3S
Molecular Weight492.77 g/mol
Exact Mass491.98
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccccc1I)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClIN2O3S/c1-21(25(23,24)14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)
InChIKeyMSEZMBAFCWGPTC-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.77
LogP ≤ 53.98
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

N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(2-methoxyphenyl)butanamide
CID 18593158

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide (CID 2136188) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide is CN(CCCC(=O)Nc1ccccc1I)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide?
The InChIKey is MSEZMBAFCWGPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIN2O3S/c1-21(25(23,24)14-10-8-13(18)9-11-14)12-4-7-17(22)20-16-6-3-2-5-15(16)19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide has a molecular weight of 492.77 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-iodophenyl)butanamide is sourced from PubChem (CID 2136188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).