4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide

C10H9BrCl2F3NO2S — CID 104854799

IUPAC4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3NO2S/c1-5(4-10(14,15)16)17-20(18,19)9-7(12)2-6(11)3-8(9)13/h2-3,5,17H,4H2,1H3
InChIKeyVOJLCRMKVLDHIL-UHFFFAOYSA-N
MW415.06 g/mol
LogP4.38
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide (PubChem CID 104854799) has the molecular formula C10H9BrCl2F3NO2S and a molecular weight of 415.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
PubChem CID104854799
Molecular FormulaC10H9BrCl2F3NO2S
Molecular Weight415.06 g/mol
Exact Mass412.89
IUPAC Name4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
SMILESCC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3NO2S/c1-5(4-10(14,15)16)17-20(18,19)9-7(12)2-6(11)3-8(9)13/h2-3,5,17H,4H2,1H3
InChIKeyVOJLCRMKVLDHIL-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 43212846
CID 43212846
CID 34116593
CID 34116593
CID 93302282
CID 93302282
CID 121302013
CID 121302013
CID 121302014
CID 121302014
CID 121302051
CID 121302051
CID 121302053
CID 121302053
CID 121302176
CID 121302176
CID 121302178
CID 121302178
CID 121302224
CID 121302224
CID 121302225
CID 121302225
CID 121303759
CID 121303759

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide (CID 104854799) is 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide is CC(CC(F)(F)F)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide?
The InChIKey is VOJLCRMKVLDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2F3NO2S/c1-5(4-10(14,15)16)17-20(18,19)9-7(12)2-6(11)3-8(9)13/h2-3,5,17H,4H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide has a molecular weight of 415.06 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 104854799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).