4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 114279820

IUPAC4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)c1ccc(CCl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-9-1-3-11(4-2-9)19(17,18)16-12-7-10(14)5-6-15-12/h1-7H,8H2,(H,15,16)
InChIKeyKRNBQNNDIKAIQP-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.27
Rot. Bonds4

About 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide

4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide (PubChem CID 114279820) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
PubChem CID114279820
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)c1ccc(CCl)cc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-8-9-1-3-11(4-2-9)19(17,18)16-12-7-10(14)5-6-15-12/h1-7H,8H2,(H,15,16)
InChIKeyKRNBQNNDIKAIQP-UHFFFAOYSA-N
XLogP3.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-(4-chloro-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

2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
CID 114052244
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
4-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 86785423
4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
CID 104821716
N-(4-chloro-2-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273428
4-(cyanomethyl)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 79185274

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide (CID 114279820) is 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccn1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide?
The InChIKey is KRNBQNNDIKAIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-8-9-1-3-11(4-2-9)19(17,18)16-12-7-10(14)5-6-15-12/h1-7H,8H2,(H,15,16).
What are the key properties of 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide?
4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 114279820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).