2-iodo-N-methoxy-N-methylbenzenesulfonamide

C8H10INO3S — CID 167792192

IUPAC2-iodo-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccccc1I
InChIInChI=1S/C8H10INO3S/c1-10(13-2)14(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeySWTWNRFPDRKYIP-UHFFFAOYSA-N
MW327.14 g/mol
LogP1.47
Rot. Bonds3

About 2-iodo-N-methoxy-N-methylbenzenesulfonamide

2-iodo-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 167792192) has the molecular formula C8H10INO3S and a molecular weight of 327.14 g/mol. Its IUPAC name is 2-iodo-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-iodo-N-methoxy-N-methylbenzenesulfonamide
PubChem CID167792192
Molecular FormulaC8H10INO3S
Molecular Weight327.14 g/mol
Exact Mass326.94
IUPAC Name2-iodo-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccccc1I
InChIInChI=1S/C8H10INO3S/c1-10(13-2)14(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKeySWTWNRFPDRKYIP-UHFFFAOYSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
silver 2-iodobenzenesulfonate
CID 139842284
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
2-iodo-N-phenyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 132938115
4-amino-N-methoxy-N-methylbenzenesulfonamide
CID 4962658
2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
N-ethyl-2-iodobenzenesulfonamide
CID 626580
N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide
CID 91171043

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-iodo-N-methoxy-N-methylbenzenesulfonamide (CID 167792192) is 2-iodo-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-iodo-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-iodo-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is SWTWNRFPDRKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO3S/c1-10(13-2)14(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3.
What are the key properties of 2-iodo-N-methoxy-N-methylbenzenesulfonamide?
2-iodo-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 327.14 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 167792192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).