N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide

C15H16ClNO2S — CID 65030743

IUPACN-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CCl)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-11-7-8-14(9-12(11)2)20(18,19)17-15-6-4-3-5-13(15)10-16/h3-9,17H,10H2,1-2H3
InChIKeyURULNYASKWGEST-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.84
Rot. Bonds4

About N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide

N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 65030743) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID65030743
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CCl)cc1C
InChIInChI=1S/C15H16ClNO2S/c1-11-7-8-14(9-12(11)2)20(18,19)17-15-6-4-3-5-13(15)10-16/h3-9,17H,10H2,1-2H3
InChIKeyURULNYASKWGEST-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3,4-dimethyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 175468998
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
3,4-dimethyl-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823884
4-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzenesulfonamide
CID 65031150
N-[2-(4-chloro-3-oxobutyl)phenyl]-3-methylbenzenesulfonamide
CID 163638553

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 65030743) is N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CCl)cc1C.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is URULNYASKWGEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-7-8-14(9-12(11)2)20(18,19)17-15-6-4-3-5-13(15)10-16/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 65030743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).