5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide

C11H8BrClFNO2S2 — CID 3591083

IUPAC5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H8BrClFNO2S2/c12-10-4-5-11(18-10)19(16,17)15-6-7-8(13)2-1-3-9(7)14/h1-5,15H,6H2
InChIKeyZMEJZLAXWMEGFW-UHFFFAOYSA-N
MW384.68 g/mol
LogP3.78
Rot. Bonds4

About 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 3591083) has the molecular formula C11H8BrClFNO2S2 and a molecular weight of 384.68 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID3591083
Molecular FormulaC11H8BrClFNO2S2
Molecular Weight384.68 g/mol
Exact Mass382.89
IUPAC Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1c(F)cccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C11H8BrClFNO2S2/c12-10-4-5-11(18-10)19(16,17)15-6-7-8(13)2-1-3-9(7)14/h1-5,15H,6H2
InChIKeyZMEJZLAXWMEGFW-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 3591083) is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1c(F)cccc1Cl)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is ZMEJZLAXWMEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO2S2/c12-10-4-5-11(18-10)19(16,17)15-6-7-8(13)2-1-3-9(7)14/h1-5,15H,6H2.
What are the key properties of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 384.68 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3591083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).