5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide

C9H11BrClNO3S — CID 68631708

IUPAC5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO3S/c1-15-5-4-12-16(13,14)9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyHIEMTPSDBXLKGX-UHFFFAOYSA-N
MW328.62 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide

5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 68631708) has the molecular formula C9H11BrClNO3S and a molecular weight of 328.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID68631708
Molecular FormulaC9H11BrClNO3S
Molecular Weight328.62 g/mol
Exact Mass326.93
IUPAC Name5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO3S/c1-15-5-4-12-16(13,14)9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyHIEMTPSDBXLKGX-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide (CID 68631708) is 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HIEMTPSDBXLKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO3S/c1-15-5-4-12-16(13,14)9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide?
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 328.62 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 68631708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).