2-(ethylamino)-5-methylsulfonylbenzenesulfonamide

C9H14N2O4S2 — CID 61036669

IUPAC2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
SMILESCCNc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O4S2/c1-3-11-8-5-4-7(16(2,12)13)6-9(8)17(10,14)15/h4-6,11H,3H2,1-2H3,(H2,10,14,15)
InChIKeyQMWILXDFMJGGFI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.17
Rot. Bonds4

About 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide

2-(ethylamino)-5-methylsulfonylbenzenesulfonamide (PubChem CID 61036669) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
PubChem CID61036669
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
SMILESCCNc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H14N2O4S2/c1-3-11-8-5-4-7(16(2,12)13)6-9(8)17(10,14)15/h4-6,11H,3H2,1-2H3,(H2,10,14,15)
InChIKeyQMWILXDFMJGGFI-UHFFFAOYSA-N
XLogP0.17
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide (CID 61036669) is 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide is CCNc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is QMWILXDFMJGGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-3-11-8-5-4-7(16(2,12)13)6-9(8)17(10,14)15/h4-6,11H,3H2,1-2H3,(H2,10,14,15).
What are the key properties of 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide?
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 278.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 61036669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).