N-(2-hydroxypropyl)-2-iodobenzenesulfonamide

C9H12INO3S — CID 167755132

IUPACN-(2-hydroxypropyl)-2-iodobenzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C9H12INO3S/c1-7(12)6-11-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,11-12H,6H2,1H3
InChIKeyXVDFFDFRMAZMNH-UHFFFAOYSA-N
MW341.17 g/mol
LogP0.95
Rot. Bonds4

About N-(2-hydroxypropyl)-2-iodobenzenesulfonamide

N-(2-hydroxypropyl)-2-iodobenzenesulfonamide (PubChem CID 167755132) has the molecular formula C9H12INO3S and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-iodobenzenesulfonamide
PubChem CID167755132
Molecular FormulaC9H12INO3S
Molecular Weight341.17 g/mol
Exact Mass340.96
IUPAC NameN-(2-hydroxypropyl)-2-iodobenzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C9H12INO3S/c1-7(12)6-11-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,11-12H,6H2,1H3
InChIKeyXVDFFDFRMAZMNH-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 50.95
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-ethyl-2-iodobenzenesulfonamide
CID 626580
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-iodobenzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-2-iodobenzenesulfonamide (CID 167755132) is N-(2-hydroxypropyl)-2-iodobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-iodobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-iodobenzenesulfonamide is CC(O)CNS(=O)(=O)c1ccccc1I.
What is the InChIKey of N-(2-hydroxypropyl)-2-iodobenzenesulfonamide?
The InChIKey is XVDFFDFRMAZMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO3S/c1-7(12)6-11-15(13,14)9-5-3-2-4-8(9)10/h2-5,7,11-12H,6H2,1H3.
What are the key properties of N-(2-hydroxypropyl)-2-iodobenzenesulfonamide?
N-(2-hydroxypropyl)-2-iodobenzenesulfonamide has a molecular weight of 341.17 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-iodobenzenesulfonamide is sourced from PubChem (CID 167755132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).