N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide

C12H18INO3S — CID 61247517

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H18INO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyAUZPEEMEBWRPBI-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.98
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide (PubChem CID 61247517) has the molecular formula C12H18INO3S and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
PubChem CID61247517
Molecular FormulaC12H18INO3S
Molecular Weight383.25 g/mol
Exact Mass383.01
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H18INO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyAUZPEEMEBWRPBI-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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

4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-iodo-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 57133728
2-[(4-fluorophenyl)sulfonylamino]-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbutanamide
CID 22221660
N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-(1-bromo-4-methylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 114297205
N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide
CID 57149498

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide (CID 61247517) is N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide?
The InChIKey is AUZPEEMEBWRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO3S/c1-9(2)7-11(8-15)14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide has a molecular weight of 383.25 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 61247517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).