N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide

C17H20INO2S — CID 57216972

IUPACN-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccccc1-c1ccc(CI)cc1
InChIInChI=1S/C17H20INO2S/c1-17(2,3)22(20,21)19-16-7-5-4-6-15(16)14-10-8-13(12-18)9-11-14/h4-11,19H,12H2,1-3H3
InChIKeyQIFQSYRTGXWKBM-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.83
Rot. Bonds4

About N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide

N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 57216972) has the molecular formula C17H20INO2S and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID57216972
Molecular FormulaC17H20INO2S
Molecular Weight429.32 g/mol
Exact Mass429.03
IUPAC NameN-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccccc1-c1ccc(CI)cc1
InChIInChI=1S/C17H20INO2S/c1-17(2,3)22(20,21)19-16-7-5-4-6-15(16)14-10-8-13(12-18)9-11-14/h4-11,19H,12H2,1-3H3
InChIKeyQIFQSYRTGXWKBM-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide (CID 57216972) is N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccccc1-c1ccc(CI)cc1.
What is the InChIKey of N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is QIFQSYRTGXWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2S/c1-17(2,3)22(20,21)19-16-7-5-4-6-15(16)14-10-8-13(12-18)9-11-14/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 429.32 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(iodomethyl)phenyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 57216972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).