N-[1-(2-iodophenyl)ethyl]methanesulfonamide

C9H12INO2S — CID 68735534

IUPACN-[1-(2-iodophenyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccc1I
InChIInChI=1S/C9H12INO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKeySRBHRBHOSKGXBS-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.90
Rot. Bonds3

About N-[1-(2-iodophenyl)ethyl]methanesulfonamide

N-[1-(2-iodophenyl)ethyl]methanesulfonamide (PubChem CID 68735534) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-[1-(2-iodophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-iodophenyl)ethyl]methanesulfonamide
PubChem CID68735534
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-[1-(2-iodophenyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccc1I
InChIInChI=1S/C9H12INO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
InChIKeySRBHRBHOSKGXBS-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
CID 70457700
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
CID 30404884
(1R)-1-(2-iodophenyl)ethanethiol
CID 87431963
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
4-amino-N-[1-(2-iodophenyl)ethyl]benzamide
CID 70495566
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056
1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686035
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]methanesulfonamide
CID 47062264

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iodophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(2-iodophenyl)ethyl]methanesulfonamide (CID 68735534) is N-[1-(2-iodophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-iodophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(2-iodophenyl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1ccccc1I.
What is the InChIKey of N-[1-(2-iodophenyl)ethyl]methanesulfonamide?
The InChIKey is SRBHRBHOSKGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3.
What are the key properties of N-[1-(2-iodophenyl)ethyl]methanesulfonamide?
N-[1-(2-iodophenyl)ethyl]methanesulfonamide has a molecular weight of 325.17 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iodophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 68735534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).