1-chloro-N-(3-iodophenyl)methanesulfonamide

C7H7ClINO2S — CID 63664275

IUPAC1-chloro-N-(3-iodophenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1cccc(I)c1
InChIInChI=1S/C7H7ClINO2S/c8-5-13(11,12)10-7-3-1-2-6(9)4-7/h1-4,10H,5H2
InChIKeyZLZSGISKNBTCSF-UHFFFAOYSA-N
MW331.56 g/mol
LogP2.23
Rot. Bonds3

About 1-chloro-N-(3-iodophenyl)methanesulfonamide

1-chloro-N-(3-iodophenyl)methanesulfonamide (PubChem CID 63664275) has the molecular formula C7H7ClINO2S and a molecular weight of 331.56 g/mol. Its IUPAC name is 1-chloro-N-(3-iodophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(3-iodophenyl)methanesulfonamide
PubChem CID63664275
Molecular FormulaC7H7ClINO2S
Molecular Weight331.56 g/mol
Exact Mass330.89
IUPAC Name1-chloro-N-(3-iodophenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1cccc(I)c1
InChIInChI=1S/C7H7ClINO2S/c8-5-13(11,12)10-7-3-1-2-6(9)4-7/h1-4,10H,5H2
InChIKeyZLZSGISKNBTCSF-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 52.23
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-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106029547
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
methyl 3-(chloromethylsulfonylamino)benzoate
CID 63665328
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
1-chloro-N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64782624

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-iodophenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(3-iodophenyl)methanesulfonamide (CID 63664275) is 1-chloro-N-(3-iodophenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(3-iodophenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(3-iodophenyl)methanesulfonamide is O=S(=O)(CCl)Nc1cccc(I)c1.
What is the InChIKey of 1-chloro-N-(3-iodophenyl)methanesulfonamide?
The InChIKey is ZLZSGISKNBTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClINO2S/c8-5-13(11,12)10-7-3-1-2-6(9)4-7/h1-4,10H,5H2.
What are the key properties of 1-chloro-N-(3-iodophenyl)methanesulfonamide?
1-chloro-N-(3-iodophenyl)methanesulfonamide has a molecular weight of 331.56 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-iodophenyl)methanesulfonamide is sourced from PubChem (CID 63664275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).