4-(2-bromoethoxy)benzenesulfonamide

C8H10BrNO3S — CID 4962801

IUPAC4-(2-bromoethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCBr)cc1
InChIInChI=1S/C8H10BrNO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKeyCYGFGUSYYFANTB-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.11
Rot. Bonds4

About 4-(2-bromoethoxy)benzenesulfonamide

4-(2-bromoethoxy)benzenesulfonamide (PubChem CID 4962801) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 4-(2-bromoethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoethoxy)benzenesulfonamide
PubChem CID4962801
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name4-(2-bromoethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCBr)cc1
InChIInChI=1S/C8H10BrNO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKeyCYGFGUSYYFANTB-UHFFFAOYSA-N
XLogP1.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)benzenesulfonamide?
The IUPAC name of 4-(2-bromoethoxy)benzenesulfonamide (CID 4962801) is 4-(2-bromoethoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2-bromoethoxy)benzenesulfonamide?
The canonical SMILES for 4-(2-bromoethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCBr)cc1.
What is the InChIKey of 4-(2-bromoethoxy)benzenesulfonamide?
The InChIKey is CYGFGUSYYFANTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12).
What are the key properties of 4-(2-bromoethoxy)benzenesulfonamide?
4-(2-bromoethoxy)benzenesulfonamide has a molecular weight of 280.14 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)benzenesulfonamide is sourced from PubChem (CID 4962801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).