3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 43232434

IUPAC3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyFBDHQJHSCKTMCC-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide

3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 43232434) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID43232434
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCc2ccccc2Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3
InChIKeyFBDHQJHSCKTMCC-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 86815879
N,N-dimethyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 43425856
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
N-[(2-chlorophenyl)methyl]-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 46634049
3-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115950963
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
3-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 66414740
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 43232434) is 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is FBDHQJHSCKTMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(2)21(19,20)14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide?
3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43232434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).