4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide

C14H12BrCl2NO2S — CID 60639502

IUPAC4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrCl2NO2S/c1-9(10-2-5-12(16)6-3-10)18-21(19,20)14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyBMYICYWXFWHOHC-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.80
Rot. Bonds4

About 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide

4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 60639502) has the molecular formula C14H12BrCl2NO2S and a molecular weight of 409.13 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID60639502
Molecular FormulaC14H12BrCl2NO2S
Molecular Weight409.13 g/mol
Exact Mass406.91
IUPAC Name4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrCl2NO2S/c1-9(10-2-5-12(16)6-3-10)18-21(19,20)14-7-4-11(15)8-13(14)17/h2-9,18H,1H3
InChIKeyBMYICYWXFWHOHC-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

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
2,4-dichloro-N-[1-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 3810826
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 60639502) is 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is BMYICYWXFWHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2S/c1-9(10-2-5-12(16)6-3-10)18-21(19,20)14-7-4-11(15)8-13(14)17/h2-9,18H,1H3.
What are the key properties of 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[1-(4-chlorophenyl)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 4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60639502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).