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

C12H11IN2O2S — CID 3792615

IUPAC4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H11IN2O2S/c1-9-3-2-8-14-12(9)15-18(16,17)11-6-4-10(13)5-7-11/h2-8H,1H3,(H,14,15)
InChIKeyOHAJZNBLNBPKEL-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.80
Rot. Bonds3

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

4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 3792615) has the molecular formula C12H11IN2O2S and a molecular weight of 374.20 g/mol. Its IUPAC name is 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID3792615
Molecular FormulaC12H11IN2O2S
Molecular Weight374.20 g/mol
Exact Mass373.96
IUPAC Name4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H11IN2O2S/c1-9-3-2-8-14-12(9)15-18(16,17)11-6-4-10(13)5-7-11/h2-8H,1H3,(H,14,15)
InChIKeyOHAJZNBLNBPKEL-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 6217942
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689
2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 115619546
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 3792615) is 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccnc1NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OHAJZNBLNBPKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2S/c1-9-3-2-8-14-12(9)15-18(16,17)11-6-4-10(13)5-7-11/h2-8H,1H3,(H,14,15).
What are the key properties of 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 3792615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).