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

C14H12BrClFNO2S — CID 32943683

IUPAC4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H12BrClFNO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(15)8-12(14)16/h2-9,18H,1H3/t9-/m1/s1
InChIKeyPIWKJKZJAOYCGQ-SECBINFHSA-N
MW392.68 g/mol
LogP4.28
Rot. Bonds4

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

4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 32943683) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID32943683
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC Name4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H12BrClFNO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(15)8-12(14)16/h2-9,18H,1H3/t9-/m1/s1
InChIKeyPIWKJKZJAOYCGQ-SECBINFHSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 32943683) is 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1F.
What is the InChIKey of 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is PIWKJKZJAOYCGQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c1-9(11-4-2-3-5-13(11)17)18-21(19,20)14-7-6-10(15)8-12(14)16/h2-9,18H,1H3/t9-/m1/s1.
What are the key properties of 4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide?
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 392.68 g/mol, XLogP of 4.28, 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-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 32943683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).