N-(3-iodopropyl)-1-phenylmethanesulfonamide

C10H14INO2S — CID 114504628

IUPACN-(3-iodopropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCI
InChIInChI=1S/C10H14INO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyXFJCCWJNPOOSMW-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.93
Rot. Bonds6

About N-(3-iodopropyl)-1-phenylmethanesulfonamide

N-(3-iodopropyl)-1-phenylmethanesulfonamide (PubChem CID 114504628) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is N-(3-iodopropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-1-phenylmethanesulfonamide
PubChem CID114504628
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC NameN-(3-iodopropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCI
InChIInChI=1S/C10H14INO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChIKeyXFJCCWJNPOOSMW-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.93
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-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
N-(2-cyanoethyl)-1-phenylmethanesulfonamide
CID 3754480
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-iodopropyl)-1-phenylmethanesulfonamide (CID 114504628) is N-(3-iodopropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-iodopropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-iodopropyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCCI.
What is the InChIKey of N-(3-iodopropyl)-1-phenylmethanesulfonamide?
The InChIKey is XFJCCWJNPOOSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2.
What are the key properties of N-(3-iodopropyl)-1-phenylmethanesulfonamide?
N-(3-iodopropyl)-1-phenylmethanesulfonamide has a molecular weight of 339.20 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 114504628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).