3-bromo-2-chloro-N-ethylbenzenesulfonamide

C8H9BrClNO2S — CID 164657063

IUPAC3-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)7-5-3-4-6(9)8(7)10/h3-5,11H,2H2,1H3
InChIKeyXQNSNKGYEWWQNO-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.40
Rot. Bonds3

About 3-bromo-2-chloro-N-ethylbenzenesulfonamide

3-bromo-2-chloro-N-ethylbenzenesulfonamide (PubChem CID 164657063) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-ethylbenzenesulfonamide
PubChem CID164657063
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC Name3-bromo-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)7-5-3-4-6(9)8(7)10/h3-5,11H,2H2,1H3
InChIKeyXQNSNKGYEWWQNO-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-ethylbenzenesulfonamide
CID 130158590
4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708903
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
N-ethyl-2-iodobenzenesulfonamide
CID 626580
4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 70635241
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586
3-amino-N-ethyl-2-hydroxybenzenesulfonamide
CID 101304003
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
2,3-dibromo-N-decylbenzenesulfonamide
CID 19782290
4-chloro-N-ethylquinoline-3-sulfonamide
CID 15643030
2,3-dibromo-N-octylbenzenesulfonamide
CID 19782260

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-ethylbenzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-N-ethylbenzenesulfonamide (CID 164657063) is 3-bromo-2-chloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-ethylbenzenesulfonamide?
The InChIKey is XQNSNKGYEWWQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c1-2-11-14(12,13)7-5-3-4-6(9)8(7)10/h3-5,11H,2H2,1H3.
What are the key properties of 3-bromo-2-chloro-N-ethylbenzenesulfonamide?
3-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 3-bromo-2-chloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164657063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).