3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide

C15H15BrClNO2S — CID 106610736

IUPAC3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3H2,1-2H3
InChIKeyLVYXUYVCGHEFET-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.63
Rot. Bonds4

About 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide

3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 106610736) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID106610736
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3H2,1-2H3
InChIKeyLVYXUYVCGHEFET-UHFFFAOYSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 115329455
3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 28548784
6-amino-5-chloro-N-ethyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64606773
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
CID 106605035
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide (CID 106610736) is 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide is CCN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is LVYXUYVCGHEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 106610736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).