N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide

C14H12BrCl2NO2S — CID 100507191

IUPACN-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(13-6-4-3-5-11(13)15)21(19,20)14-9-10(16)7-8-12(14)17/h3-9H,2H2,1H3
InChIKeyHAVUCURGYATVBG-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.97
Rot. Bonds4

About N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide

N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide (PubChem CID 100507191) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
PubChem CID100507191
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC NameN-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(13-6-4-3-5-11(13)15)21(19,20)14-9-10(16)7-8-12(14)17/h3-9H,2H2,1H3
InChIKeyHAVUCURGYATVBG-UHFFFAOYSA-N
XLogP4.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100508845
2-(2-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890896
N-(2-bromophenyl)-N-ethylmethanesulfonamide
CID 66980818
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 106610736
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
2-[(2,5-dichlorophenyl)sulfonyl-naphthalen-1-ylamino]acetyl chloride
CID 50893916
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide (CID 100507191) is N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide is CCN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The InChIKey is HAVUCURGYATVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-2-18(13-6-4-3-5-11(13)15)21(19,20)14-9-10(16)7-8-12(14)17/h3-9H,2H2,1H3.
What are the key properties of N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide has a molecular weight of 409.13 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 100507191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).