N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide

C16H15F3INO2S — CID 67034890

IUPACN-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2I)cc1
InChIInChI=1S/C16H15F3INO2S/c1-2-3-11-4-7-13(8-5-11)24(22,23)21-15-9-6-12(10-14(15)20)16(17,18)19/h4-10,21H,2-3H2,1H3
InChIKeyDPDZPEGYDHBLTK-UHFFFAOYSA-N
MW469.27 g/mol
LogP5.06
Rot. Bonds5

About N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide

N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 67034890) has the molecular formula C16H15F3INO2S and a molecular weight of 469.27 g/mol. Its IUPAC name is N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
PubChem CID67034890
Molecular FormulaC16H15F3INO2S
Molecular Weight469.27 g/mol
Exact Mass468.98
IUPAC NameN-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2I)cc1
InChIInChI=1S/C16H15F3INO2S/c1-2-3-11-4-7-13(8-5-11)24(22,23)21-15-9-6-12(10-14(15)20)16(17,18)19/h4-10,21H,2-3H2,1H3
InChIKeyDPDZPEGYDHBLTK-UHFFFAOYSA-N
XLogP5.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.27
LogP ≤ 55.06
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

4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 112773266
N-[methylidene-oxo-[4-(trifluoromethyl)phenyl]-λ6-sulfanyl]-4-propylaniline
CID 142924794
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
N-[3,5-bis(trifluoromethyl)phenyl]-4-butylbenzenesulfonamide
CID 22775272
N-[2-iodo-4-(trifluoromethyl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 67034634
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 3374845
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-(2-amino-4-chlorophenyl)-4-propylbenzenesulfonamide
CID 61072072
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301

Frequently Asked Questions

What is the IUPAC name of N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide (CID 67034890) is N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2I)cc1.
What is the InChIKey of N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is DPDZPEGYDHBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3INO2S/c1-2-3-11-4-7-13(8-5-11)24(22,23)21-15-9-6-12(10-14(15)20)16(17,18)19/h4-10,21H,2-3H2,1H3.
What are the key properties of N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 469.27 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-iodo-4-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 67034890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).