N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide

C10H13FINO2S — CID 79767137

IUPACN-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H13FINO2S/c1-10(2,3)16(14,15)13-9-5-4-7(11)6-8(9)12/h4-6,13H,1-3H3
InChIKeyQWAOMVOWLAFEMV-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.97
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide

N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide (PubChem CID 79767137) has the molecular formula C10H13FINO2S and a molecular weight of 357.19 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
PubChem CID79767137
Molecular FormulaC10H13FINO2S
Molecular Weight357.19 g/mol
Exact Mass356.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H13FINO2S/c1-10(2,3)16(14,15)13-9-5-4-7(11)6-8(9)12/h4-6,13H,1-3H3
InChIKeyQWAOMVOWLAFEMV-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-1-methylsulfonylmethanesulfonamide
CID 82843139
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232817
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
5-bromo-4-[(4-fluoro-2-iodophenyl)sulfamoyl]furan-2-carboxylic acid
CID 79758173
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
4-chloro-N-(4-fluoro-2-iodophenyl)pyridine-3-sulfonamide
CID 79768669
5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
CID 79771397
N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide
CID 79766739
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide (CID 79767137) is N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is QWAOMVOWLAFEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FINO2S/c1-10(2,3)16(14,15)13-9-5-4-7(11)6-8(9)12/h4-6,13H,1-3H3.
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide?
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 357.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 79767137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).