N-(4-bromo-2-ethylphenyl)ethanesulfonamide

C10H14BrNO2S — CID 6464405

IUPACN-(4-bromo-2-ethylphenyl)ethanesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)CC
InChIInChI=1S/C10H14BrNO2S/c1-3-8-7-9(11)5-6-10(8)12-15(13,14)4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyLBXQIDBRPKKHGD-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.77
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)ethanesulfonamide

N-(4-bromo-2-ethylphenyl)ethanesulfonamide (PubChem CID 6464405) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)ethanesulfonamide
PubChem CID6464405
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(4-bromo-2-ethylphenyl)ethanesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)CC
InChIInChI=1S/C10H14BrNO2S/c1-3-8-7-9(11)5-6-10(8)12-15(13,14)4-2/h5-7,12H,3-4H2,1-2H3
InChIKeyLBXQIDBRPKKHGD-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)ethanesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)ethanesulfonamide (CID 6464405) is N-(4-bromo-2-ethylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)ethanesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)ethanesulfonamide?
The InChIKey is LBXQIDBRPKKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-8-7-9(11)5-6-10(8)12-15(13,14)4-2/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)ethanesulfonamide?
N-(4-bromo-2-ethylphenyl)ethanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)ethanesulfonamide is sourced from PubChem (CID 6464405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).