5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

C13H21ClN2O2S — CID 82884286

IUPAC5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC(C)C)c1C
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)7-16-19(17,18)13-6-12(14)5-11(8-15-4)10(13)3/h5-6,9,15-16H,7-8H2,1-4H3
InChIKeyGUKFERSABAUFLN-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.30
Rot. Bonds6

About 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 82884286) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID82884286
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC(C)C)c1C
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)7-16-19(17,18)13-6-12(14)5-11(8-15-4)10(13)3/h5-6,9,15-16H,7-8H2,1-4H3
InChIKeyGUKFERSABAUFLN-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 82884286) is 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)NCC(C)C)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is GUKFERSABAUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-9(2)7-16-19(17,18)13-6-12(14)5-11(8-15-4)10(13)3/h5-6,9,15-16H,7-8H2,1-4H3.
What are the key properties of 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 304.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 82884286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).