N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide

C14H12BrCl2NO2S — CID 100506692

IUPACN-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(12-6-3-10(15)4-7-12)21(19,20)14-9-11(16)5-8-13(14)17/h3-9H,2H2,1H3
InChIKeyYVHIIQPBGHSHME-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.97
Rot. Bonds4

About N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide

N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide (PubChem CID 100506692) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
PubChem CID100506692
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC NameN-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO2S/c1-2-18(12-6-3-10(15)4-7-12)21(19,20)14-9-11(16)5-8-13(14)17/h3-9H,2H2,1H3
InChIKeyYVHIIQPBGHSHME-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-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2-(4-bromo-N-(2,5-dichlorophenyl)sulfonylanilino)propanoic acid
CID 50890833
N-(4-bromo-3-methylphenyl)-2,5-dichloro-N-prop-2-enylbenzenesulfonamide
CID 100508195
5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 34043521
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
4-[(2-chloro-5-sulfamoylphenyl)sulfonyl-ethylamino]benzoic acid
CID 166391621
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide (CID 100506692) is N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide is CCN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
The InChIKey is YVHIIQPBGHSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-2-18(12-6-3-10(15)4-7-12)21(19,20)14-9-11(16)5-8-13(14)17/h3-9H,2H2,1H3.
What are the key properties of N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide?
N-(4-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-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 100506692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).