N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide

C13H20INO2S — CID 11245994

IUPACN-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCC(CI)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20INO2S/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyGSVHHLFFACJIRU-UHFFFAOYSA-N
MW381.28 g/mol
LogP3.27
Rot. Bonds7

About N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide

N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 11245994) has the molecular formula C13H20INO2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
PubChem CID11245994
Molecular FormulaC13H20INO2S
Molecular Weight381.28 g/mol
Exact Mass381.03
IUPAC NameN-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCC(CI)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20INO2S/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyGSVHHLFFACJIRU-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
2-[(4-methylphenyl)sulfonylamino]hexyl thiocyanate
CID 86074061
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
N-[4-(butylamino)-1-[(4-methylphenyl)sulfonylamino]butyl]-4-methylbenzenesulfonamide
CID 22495516
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181

Frequently Asked Questions

What is the IUPAC name of N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide (CID 11245994) is N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide is CCCCC(CI)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is GSVHHLFFACJIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO2S/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide?
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11245994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).