4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C13H13ClN2O2S — CID 114279681

IUPAC4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCl)cc2)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-10-2-7-13(15-9-10)16-19(17,18)12-5-3-11(8-14)4-6-12/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyDTOCQOCFDSRKQT-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.93
Rot. Bonds4

About 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide

4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 114279681) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID114279681
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCl)cc2)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-10-2-7-13(15-9-10)16-19(17,18)12-5-3-11(8-14)4-6-12/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyDTOCQOCFDSRKQT-UHFFFAOYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 114279681) is 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCl)cc2)nc1.
What is the InChIKey of 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is DTOCQOCFDSRKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-10-2-7-13(15-9-10)16-19(17,18)12-5-3-11(8-14)4-6-12/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 114279681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).