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

C11H17ClN2O2S — CID 114268048

IUPAC4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H17ClN2O2S/c1-8-6-10(12)4-5-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyLEESGQXOIWWHDG-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.53
Rot. Bonds5

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

4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 114268048) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID114268048
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H17ClN2O2S/c1-8-6-10(12)4-5-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyLEESGQXOIWWHDG-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (CID 114268048) is 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is LEESGQXOIWWHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8-6-10(12)4-5-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
4-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.53, 5 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-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 114268048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).