1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide

C14H15IN2O2S — CID 70274509

IUPAC1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(Nc2ccccc2I)cc1
InChIInChI=1S/C14H15IN2O2S/c1-16-20(18,19)10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyPDYUDUYSGBAQKD-UHFFFAOYSA-N
MW402.26 g/mol
LogP3.08
Rot. Bonds5

About 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide

1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide (PubChem CID 70274509) has the molecular formula C14H15IN2O2S and a molecular weight of 402.26 g/mol. Its IUPAC name is 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide
PubChem CID70274509
Molecular FormulaC14H15IN2O2S
Molecular Weight402.26 g/mol
Exact Mass401.99
IUPAC Name1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(Nc2ccccc2I)cc1
InChIInChI=1S/C14H15IN2O2S/c1-16-20(18,19)10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyPDYUDUYSGBAQKD-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide (CID 70274509) is 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(Nc2ccccc2I)cc1.
What is the InChIKey of 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide?
The InChIKey is PDYUDUYSGBAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2S/c1-16-20(18,19)10-11-6-8-12(9-7-11)17-14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3.
What are the key properties of 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide?
1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide has a molecular weight of 402.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-iodoanilino)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70274509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).