4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

C12H19ClN2O2S — CID 113282581

IUPAC4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C12H19ClN2O2S/c1-9(7-14-3)8-15-18(16,17)12-5-4-11(13)6-10(12)2/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyVTSJYSFCQJESAJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.78
Rot. Bonds6

About 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide

4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (PubChem CID 113282581) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
PubChem CID113282581
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C12H19ClN2O2S/c1-9(7-14-3)8-15-18(16,17)12-5-4-11(13)6-10(12)2/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyVTSJYSFCQJESAJ-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
4-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 47031514
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
2,5-dimethyl-N-[(2R)-2-methyl-3-(methylamino)propyl]furan-3-sulfonamide
CID 99852828
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide (CID 113282581) is 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is CNCC(C)CNS(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is VTSJYSFCQJESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-9(7-14-3)8-15-18(16,17)12-5-4-11(13)6-10(12)2/h4-6,9,14-15H,7-8H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide?
4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 113282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).