4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H9BrCl2F3NO2S — CID 61384513

IUPAC4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3NO2S/c1-17(3-2-10(14,15)16)20(18,19)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3
InChIKeyZGONZSNROMSPLV-UHFFFAOYSA-N
MW415.06 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 61384513) has the molecular formula C10H9BrCl2F3NO2S and a molecular weight of 415.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID61384513
Molecular FormulaC10H9BrCl2F3NO2S
Molecular Weight415.06 g/mol
Exact Mass412.89
IUPAC Name4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H9BrCl2F3NO2S/c1-17(3-2-10(14,15)16)20(18,19)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3
InChIKeyZGONZSNROMSPLV-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 61384513) is 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is ZGONZSNROMSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2F3NO2S/c1-17(3-2-10(14,15)16)20(18,19)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 415.06 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 61384513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).