N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide

C11H14BrClFNO2S — CID 104922657

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H14BrClFNO2S/c1-7(2)3-4-18(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3
InChIKeyNDLWIIPMNKTVRN-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.03
Rot. Bonds5

About N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide (PubChem CID 104922657) has the molecular formula C11H14BrClFNO2S and a molecular weight of 358.66 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide
PubChem CID104922657
Molecular FormulaC11H14BrClFNO2S
Molecular Weight358.66 g/mol
Exact Mass356.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H14BrClFNO2S/c1-7(2)3-4-18(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3
InChIKeyNDLWIIPMNKTVRN-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide (CID 104922657) is N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide?
The InChIKey is NDLWIIPMNKTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO2S/c1-7(2)3-4-18(16,17)15-11-9(12)5-8(14)6-10(11)13/h5-7,15H,3-4H2,1-2H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide has a molecular weight of 358.66 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 104922657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).