N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide

C14H9BrFNO2S2 — CID 116528371

IUPACN-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFNO2S2/c15-10-1-4-14(12(16)8-10)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H
InChIKeyRPKQHYQWAYEDEX-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.60
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide

N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide (PubChem CID 116528371) has the molecular formula C14H9BrFNO2S2 and a molecular weight of 386.27 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
PubChem CID116528371
Molecular FormulaC14H9BrFNO2S2
Molecular Weight386.27 g/mol
Exact Mass384.92
IUPAC NameN-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFNO2S2/c15-10-1-4-14(12(16)8-10)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H
InChIKeyRPKQHYQWAYEDEX-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
CID 65475216
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300838
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
CID 116528398
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
5-bromo-1-benzothiophene
CID 2776578

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide (CID 116528371) is N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2sccc2c1)c1ccc(Br)cc1F.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide?
The InChIKey is RPKQHYQWAYEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S2/c15-10-1-4-14(12(16)8-10)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H.
What are the key properties of N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide?
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).