N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H11F3INO2S — CID 3729383

IUPACN-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3INO2S/c1-9-7-11(18)5-6-13(9)19-22(20,21)12-4-2-3-10(8-12)14(15,16)17/h2-8,19H,1H3
InChIKeyXZUUOHYDFMBOEE-UHFFFAOYSA-N
MW441.21 g/mol
LogP4.42
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3729383) has the molecular formula C14H11F3INO2S and a molecular weight of 441.21 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3729383
Molecular FormulaC14H11F3INO2S
Molecular Weight441.21 g/mol
Exact Mass440.95
IUPAC NameN-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3INO2S/c1-9-7-11(18)5-6-13(9)19-22(20,21)12-4-2-3-10(8-12)14(15,16)17/h2-8,19H,1H3
InChIKeyXZUUOHYDFMBOEE-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.21
LogP ≤ 54.42
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

methyl 3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 24651236
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
N-[2-fluoro-4-methyl-5-(2-methylbutan-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 170149312
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 175722965
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 3729383) is N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XZUUOHYDFMBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO2S/c1-9-7-11(18)5-6-13(9)19-22(20,21)12-4-2-3-10(8-12)14(15,16)17/h2-8,19H,1H3.
What are the key properties of N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3729383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).