5-bromo-2-chloro-N-ethylbenzenesulfonamide

C8H9BrClNO2S — CID 130158590

IUPAC5-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeySDCIMUPVQXMUBE-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.40
Rot. Bonds3

About 5-bromo-2-chloro-N-ethylbenzenesulfonamide

5-bromo-2-chloro-N-ethylbenzenesulfonamide (PubChem CID 130158590) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-ethylbenzenesulfonamide
PubChem CID130158590
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC Name5-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3
InChIKeySDCIMUPVQXMUBE-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 70635241
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-ethylbenzenesulfonamide (CID 130158590) is 5-bromo-2-chloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-ethylbenzenesulfonamide?
The InChIKey is SDCIMUPVQXMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)8-5-6(9)3-4-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-ethylbenzenesulfonamide?
5-bromo-2-chloro-N-ethylbenzenesulfonamide has a molecular weight of 298.59 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 130158590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).