4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C13H13IN2O2S — CID 71671396

IUPAC4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(I)c(C)c2)c1
InChIInChI=1S/C13H13IN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16)
InChIKeyHDQQMXHZAOZICA-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.10
Rot. Bonds3

About 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 71671396) has the molecular formula C13H13IN2O2S and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID71671396
Molecular FormulaC13H13IN2O2S
Molecular Weight388.23 g/mol
Exact Mass387.97
IUPAC Name4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(I)c(C)c2)c1
InChIInChI=1S/C13H13IN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16)
InChIKeyHDQQMXHZAOZICA-UHFFFAOYSA-N
XLogP3.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774
N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 79185274
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224
2,6-dimethyl-4-(methylamino)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 107328600
3-[1-(methylamino)ethyl]-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 43506999
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 119055169

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 71671396) is 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(I)c(C)c2)c1.
What is the InChIKey of 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is HDQQMXHZAOZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 388.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71671396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).