5-chloro-2-(ethylamino)benzenesulfonamide

C8H11ClN2O2S — CID 44590432

IUPAC5-chloro-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-7-4-3-6(9)5-8(7)14(10,12)13/h3-5,11H,2H2,1H3,(H2,10,12,13)
InChIKeyYWMNGJYJJHPACD-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.42
Rot. Bonds3

About 5-chloro-2-(ethylamino)benzenesulfonamide

5-chloro-2-(ethylamino)benzenesulfonamide (PubChem CID 44590432) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)benzenesulfonamide
PubChem CID44590432
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name5-chloro-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-7-4-3-6(9)5-8(7)14(10,12)13/h3-5,11H,2H2,1H3,(H2,10,12,13)
InChIKeyYWMNGJYJJHPACD-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(ethylamino)benzenesulfonamide (CID 44590432) is 5-chloro-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(ethylamino)benzenesulfonamide is CCNc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-(ethylamino)benzenesulfonamide?
The InChIKey is YWMNGJYJJHPACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-2-11-7-4-3-6(9)5-8(7)14(10,12)13/h3-5,11H,2H2,1H3,(H2,10,12,13).
What are the key properties of 5-chloro-2-(ethylamino)benzenesulfonamide?
5-chloro-2-(ethylamino)benzenesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 44590432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).