3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

C14H12BrClFNO2S — CID 106610872

IUPAC3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrClFNO2S/c15-13-9-12(4-5-14(13)16)21(19,20)18-7-6-10-2-1-3-11(17)8-10/h1-5,8-9,18H,6-7H2
InChIKeyDVILWVLAMGPVPW-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.76
Rot. Bonds5

About 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 106610872) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID106610872
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC Name3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrClFNO2S/c15-13-9-12(4-5-14(13)16)21(19,20)18-7-6-10-2-1-3-11(17)8-10/h1-5,8-9,18H,6-7H2
InChIKeyDVILWVLAMGPVPW-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-phenethylbenzenesulfonamide
CID 722861
4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1122626
4-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 2572398
4-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 42913024
4-chloro-N-[3-(4-fluorophenyl)propyl]benzenesulfonamide
CID 17617009
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097169
4-chloro-N-(2-fluoro-2-phenylethyl)benzenesulfonamide
CID 121371985
4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 146256453
N-[(1R)-2-amino-1-cyclohexylethyl]-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 170964218
5-bromo-4-chloro-2-fluoro-N-methyl-N-[(3S)-5-methyl-1-phenylhexan-3-yl]benzenesulfonamide
CID 172179385
N-(2-amino-1-cyclohexylethyl)-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 172179421
2-bromo-N-[(2-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3344821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (CID 106610872) is 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is DVILWVLAMGPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c15-13-9-12(4-5-14(13)16)21(19,20)18-7-6-10-2-1-3-11(17)8-10/h1-5,8-9,18H,6-7H2.
What are the key properties of 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 392.68 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106610872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).