3-iodo-N,4-dimethylbenzenesulfonamide

C8H10INO2S — CID 2817416

IUPAC3-iodo-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C8H10INO2S/c1-6-3-4-7(5-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyHNLVSPQZHRIBQB-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.51
Rot. Bonds2

About 3-iodo-N,4-dimethylbenzenesulfonamide

3-iodo-N,4-dimethylbenzenesulfonamide (PubChem CID 2817416) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-iodo-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-iodo-N,4-dimethylbenzenesulfonamide
PubChem CID2817416
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC Name3-iodo-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C8H10INO2S/c1-6-3-4-7(5-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyHNLVSPQZHRIBQB-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.51
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

2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 177279924
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 75486975
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-iodo-N,4-dimethylbenzenesulfonamide (CID 2817416) is 3-iodo-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-iodo-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-iodo-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(I)c1.
What is the InChIKey of 3-iodo-N,4-dimethylbenzenesulfonamide?
The InChIKey is HNLVSPQZHRIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c1-6-3-4-7(5-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3.
What are the key properties of 3-iodo-N,4-dimethylbenzenesulfonamide?
3-iodo-N,4-dimethylbenzenesulfonamide has a molecular weight of 311.14 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2817416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).