4-[1-(methylamino)ethyl]benzenesulfonamide

C9H14N2O2S — CID 4961836

IUPAC4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(11-2)8-3-5-9(6-4-8)14(10,12)13/h3-7,11H,1-2H3,(H2,10,12,13)
InChIKeyDYXBDKAGCQTXGF-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.61
Rot. Bonds3

About 4-[1-(methylamino)ethyl]benzenesulfonamide

4-[1-(methylamino)ethyl]benzenesulfonamide (PubChem CID 4961836) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]benzenesulfonamide
PubChem CID4961836
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-[1-(methylamino)ethyl]benzenesulfonamide
SMILESCNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O2S/c1-7(11-2)8-3-5-9(6-4-8)14(10,12)13/h3-7,11H,1-2H3,(H2,10,12,13)
InChIKeyDYXBDKAGCQTXGF-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]benzenesulfonamide (CID 4961836) is 4-[1-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]benzenesulfonamide is CNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is DYXBDKAGCQTXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7(11-2)8-3-5-9(6-4-8)14(10,12)13/h3-7,11H,1-2H3,(H2,10,12,13).
What are the key properties of 4-[1-(methylamino)ethyl]benzenesulfonamide?
4-[1-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4961836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).