N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide

C14H13FINO3S — CID 79760758

IUPACN-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H13FINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyBQBSWNMRMDFEMX-UHFFFAOYSA-N
MW421.23 g/mol
LogP3.28
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 79760758) has the molecular formula C14H13FINO3S and a molecular weight of 421.23 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID79760758
Molecular FormulaC14H13FINO3S
Molecular Weight421.23 g/mol
Exact Mass420.96
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2I)cc1
InChIInChI=1S/C14H13FINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3
InChIKeyBQBSWNMRMDFEMX-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-[2-iodo-4-(trifluoromethoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 70663020
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 79760758) is N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2I)cc1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is BQBSWNMRMDFEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO3S/c1-9(18)10-2-5-12(6-3-10)21(19,20)17-14-7-4-11(15)8-13(14)16/h2-9,17-18H,1H3.
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 421.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 79760758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).