3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide

C14H14INO3S — CID 43507196

IUPAC3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H14INO3S/c1-10(17)11-3-2-4-14(9-11)20(18,19)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3
InChIKeyUAQCCXIJTWFNCZ-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.15
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide

3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 43507196) has the molecular formula C14H14INO3S and a molecular weight of 403.24 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
PubChem CID43507196
Molecular FormulaC14H14INO3S
Molecular Weight403.24 g/mol
Exact Mass402.97
IUPAC Name3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C14H14INO3S/c1-10(17)11-3-2-4-14(9-11)20(18,19)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3
InChIKeyUAQCCXIJTWFNCZ-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.15
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

N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
3-(1-hydroxyethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 66354403
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62915619
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107629533
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide (CID 43507196) is 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is UAQCCXIJTWFNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S/c1-10(17)11-3-2-4-14(9-11)20(18,19)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3.
What are the key properties of 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide?
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 403.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 43507196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).