2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide

C15H15IN2O3S — CID 2955850

IUPAC2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O3S/c1-11(15(19)17-13-9-7-12(16)8-10-13)18-22(20,21)14-5-3-2-4-6-14/h2-11,18H,1H3,(H,17,19)
InChIKeyPQCNKBGDMYMXOV-UHFFFAOYSA-N
MW430.27 g/mol
LogP2.60
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide

2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide (PubChem CID 2955850) has the molecular formula C15H15IN2O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
PubChem CID2955850
Molecular FormulaC15H15IN2O3S
Molecular Weight430.27 g/mol
Exact Mass429.98
IUPAC Name2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H15IN2O3S/c1-11(15(19)17-13-9-7-12(16)8-10-13)18-22(20,21)14-5-3-2-4-6-14/h2-11,18H,1H3,(H,17,19)
InChIKeyPQCNKBGDMYMXOV-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 52.60
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

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide (CID 2955850) is 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide?
The InChIKey is PQCNKBGDMYMXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3S/c1-11(15(19)17-13-9-7-12(16)8-10-13)18-22(20,21)14-5-3-2-4-6-14/h2-11,18H,1H3,(H,17,19).
What are the key properties of 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide?
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide has a molecular weight of 430.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 2955850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).