N-(3-iodopropyl)-2-methylbenzenesulfonamide

C10H14INO2S — CID 114504608

IUPACN-(3-iodopropyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCI
InChIInChI=1S/C10H14INO2S/c1-9-5-2-3-6-10(9)15(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyJLVTVNBNUZBMJM-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.10
Rot. Bonds5

About N-(3-iodopropyl)-2-methylbenzenesulfonamide

N-(3-iodopropyl)-2-methylbenzenesulfonamide (PubChem CID 114504608) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(3-iodopropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-2-methylbenzenesulfonamide
PubChem CID114504608
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC NameN-(3-iodopropyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCI
InChIInChI=1S/C10H14INO2S/c1-9-5-2-3-6-10(9)15(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3
InChIKeyJLVTVNBNUZBMJM-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-[(2-methylphenyl)sulfonylamino]ethyl 2-methylbenzenesulfonate
CID 86744340
2-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 114008764
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-iodopropyl)-2-methylbenzenesulfonamide (CID 114504608) is N-(3-iodopropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-iodopropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-iodopropyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCCI.
What is the InChIKey of N-(3-iodopropyl)-2-methylbenzenesulfonamide?
The InChIKey is JLVTVNBNUZBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c1-9-5-2-3-6-10(9)15(13,14)12-8-4-7-11/h2-3,5-6,12H,4,7-8H2,1H3.
What are the key properties of N-(3-iodopropyl)-2-methylbenzenesulfonamide?
N-(3-iodopropyl)-2-methylbenzenesulfonamide has a molecular weight of 339.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114504608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).