2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide

C14H13Br2NO2S — CID 26944075

IUPAC2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H13Br2NO2S/c1-10(11-6-8-12(15)9-7-11)17-20(18,19)14-5-3-2-4-13(14)16/h2-10,17H,1H3/t10-/m0/s1
InChIKeyJYJCGITYVQSFFW-JTQLQIEISA-N
MW419.14 g/mol
LogP4.25
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide

2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 26944075) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
PubChem CID26944075
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC Name2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H13Br2NO2S/c1-10(11-6-8-12(15)9-7-11)17-20(18,19)14-5-3-2-4-13(14)16/h2-10,17H,1H3/t10-/m0/s1
InChIKeyJYJCGITYVQSFFW-JTQLQIEISA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
N-benzhydryl-2-bromobenzenesulfonamide
CID 7938199
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide (CID 26944075) is 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is JYJCGITYVQSFFW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c1-10(11-6-8-12(15)9-7-11)17-20(18,19)14-5-3-2-4-13(14)16/h2-10,17H,1H3/t10-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide?
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide has a molecular weight of 419.14 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 26944075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).