3-iodo-N-(3-methylphenyl)propane-1-sulfonamide

C10H14INO2S — CID 146534327

IUPAC3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCI)c1
InChIInChI=1S/C10H14INO2S/c1-9-4-2-5-10(8-9)12-15(13,14)7-3-6-11/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyGCJYJVMXBPYTKO-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.56
Rot. Bonds5

About 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide

3-iodo-N-(3-methylphenyl)propane-1-sulfonamide (PubChem CID 146534327) has the molecular formula C10H14INO2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
PubChem CID146534327
Molecular FormulaC10H14INO2S
Molecular Weight339.20 g/mol
Exact Mass338.98
IUPAC Name3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)CCCI)c1
InChIInChI=1S/C10H14INO2S/c1-9-4-2-5-10(8-9)12-15(13,14)7-3-6-11/h2,4-5,8,12H,3,6-7H2,1H3
InChIKeyGCJYJVMXBPYTKO-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
(3-methylphenyl)sulfamic acid
CID 10307955
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
N,N-dimethyl-4-[2-[(3-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299349
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
N-[4-(N-ethyl-3-methylanilino)phenyl]butane-1-sulfonamide
CID 112990134
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
CID 3585526
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide (CID 146534327) is 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide is Cc1cccc(NS(=O)(=O)CCCI)c1.
What is the InChIKey of 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide?
The InChIKey is GCJYJVMXBPYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2S/c1-9-4-2-5-10(8-9)12-15(13,14)7-3-6-11/h2,4-5,8,12H,3,6-7H2,1H3.
What are the key properties of 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide?
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide has a molecular weight of 339.20 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 146534327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).