N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide

C13H13IN2O2S — CID 4992211

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C13H13IN2O2S/c1-9-7-10(2)15-13(8-9)16-19(17,18)12-5-3-11(14)4-6-12/h3-8H,1-2H3,(H,15,16)
InChIKeyBNPYAIDIXIIYBN-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.10
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide

N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide (PubChem CID 4992211) has the molecular formula C13H13IN2O2S and a molecular weight of 388.23 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
PubChem CID4992211
Molecular FormulaC13H13IN2O2S
Molecular Weight388.23 g/mol
Exact Mass387.97
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C13H13IN2O2S/c1-9-7-10(2)15-13(8-9)16-19(17,18)12-5-3-11(14)4-6-12/h3-8H,1-2H3,(H,15,16)
InChIKeyBNPYAIDIXIIYBN-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

N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 115749665
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717
(4,6-dimethyl-2-pyridinyl)sulfamic acid
CID 45096800
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
CID 53313303
3-[(4,6-dimethyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 114932530
N-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102693474
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 115749656
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide (CID 4992211) is N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide?
The InChIKey is BNPYAIDIXIIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2S/c1-9-7-10(2)15-13(8-9)16-19(17,18)12-5-3-11(14)4-6-12/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide?
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide 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 N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 4992211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).