2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide

C14H12BrCl2NO2S — CID 42913006

IUPAC2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12BrCl2NO2S/c1-9(10-6-7-12(16)13(17)8-10)18-21(19,20)14-5-3-2-4-11(14)15/h2-9,18H,1H3
InChIKeyMDKFOBPGJPASGB-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.80
Rot. Bonds4

About 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide

2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide (PubChem CID 42913006) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
PubChem CID42913006
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC Name2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12BrCl2NO2S/c1-9(10-6-7-12(16)13(17)8-10)18-21(19,20)14-5-3-2-4-11(14)15/h2-9,18H,1H3
InChIKeyMDKFOBPGJPASGB-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chlorobenzenesulfonamide
CID 46445215
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61249472
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
CID 112684116
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide (CID 42913006) is 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is MDKFOBPGJPASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-9(10-6-7-12(16)13(17)8-10)18-21(19,20)14-5-3-2-4-11(14)15/h2-9,18H,1H3.
What are the key properties of 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide?
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 409.13 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42913006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).