2-(2-bromo-4-chloroanilino)ethanesulfonamide

C8H10BrClN2O2S — CID 114385115

IUPAC2-(2-bromo-4-chloroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN2O2S/c9-7-5-6(10)1-2-8(7)12-3-4-15(11,13)14/h1-2,5,12H,3-4H2,(H2,11,13,14)
InChIKeyKNSHRIJDZRZDDD-UHFFFAOYSA-N
MW313.60 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-bromo-4-chloroanilino)ethanesulfonamide

2-(2-bromo-4-chloroanilino)ethanesulfonamide (PubChem CID 114385115) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)ethanesulfonamide
PubChem CID114385115
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC Name2-(2-bromo-4-chloroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C8H10BrClN2O2S/c9-7-5-6(10)1-2-8(7)12-3-4-15(11,13)14/h1-2,5,12H,3-4H2,(H2,11,13,14)
InChIKeyKNSHRIJDZRZDDD-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)ethanesulfonamide?
The IUPAC name of 2-(2-bromo-4-chloroanilino)ethanesulfonamide (CID 114385115) is 2-(2-bromo-4-chloroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)ethanesulfonamide?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)ethanesulfonamide is NS(=O)(=O)CCNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)ethanesulfonamide?
The InChIKey is KNSHRIJDZRZDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c9-7-5-6(10)1-2-8(7)12-3-4-15(11,13)14/h1-2,5,12H,3-4H2,(H2,11,13,14).
What are the key properties of 2-(2-bromo-4-chloroanilino)ethanesulfonamide?
2-(2-bromo-4-chloroanilino)ethanesulfonamide has a molecular weight of 313.60 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)ethanesulfonamide is sourced from PubChem (CID 114385115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).