5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C15H17ClN2O2S — CID 43606096

IUPAC5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2O2S/c1-11-7-8-13(16)9-15(11)21(19,20)18-14-6-4-3-5-12(14)10-17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyVDDWDFWAMWNMOZ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 43606096) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID43606096
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C
InChIInChI=1S/C15H17ClN2O2S/c1-11-7-8-13(16)9-15(11)21(19,20)18-14-6-4-3-5-12(14)10-17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyVDDWDFWAMWNMOZ-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
5-chloro-2-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563949
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106606532
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 43606096) is 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is VDDWDFWAMWNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-7-8-13(16)9-15(11)21(19,20)18-14-6-4-3-5-12(14)10-17-2/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43606096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).