N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide

C12H18INO3S — CID 65112960

IUPACN-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H18INO3S/c1-3-12(15,4-2)9-14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyOBPBZQBXFPGPHU-UHFFFAOYSA-N
MW383.25 g/mol
LogP2.12
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide

N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide (PubChem CID 65112960) has the molecular formula C12H18INO3S and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
PubChem CID65112960
Molecular FormulaC12H18INO3S
Molecular Weight383.25 g/mol
Exact Mass383.01
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H18INO3S/c1-3-12(15,4-2)9-14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyOBPBZQBXFPGPHU-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 52.12
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-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
methyl 3-[(2-ethyl-2-hydroxybutyl)sulfamoyl]benzoate
CID 65113181
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide (CID 65112960) is N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide?
The InChIKey is OBPBZQBXFPGPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO3S/c1-3-12(15,4-2)9-14-18(16,17)11-7-5-10(13)6-8-11/h5-8,14-15H,3-4,9H2,1-2H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide?
N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide has a molecular weight of 383.25 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 65112960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).