4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide

C11H10BrClF5NO2S — CID 121302158

IUPAC4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl)C(F)(F)F
InChIInChI=1S/C11H10BrClF5NO2S/c1-2-7(11(16,17)18)19-22(20,21)6-4-3-5(12)8(9(6)13)10(14)15/h3-4,7,10,19H,2H2,1H3/t7-/m0/s1
InChIKeyDZPIENFBDLDGBW-ZETCQYMHSA-N
MW430.62 g/mol
LogP4.66
Rot. Bonds5

About 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide

4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (PubChem CID 121302158) has the molecular formula C11H10BrClF5NO2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
PubChem CID121302158
Molecular FormulaC11H10BrClF5NO2S
Molecular Weight430.62 g/mol
Exact Mass428.92
IUPAC Name4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl)C(F)(F)F
InChIInChI=1S/C11H10BrClF5NO2S/c1-2-7(11(16,17)18)19-22(20,21)6-4-3-5(12)8(9(6)13)10(14)15/h3-4,7,10,19H,2H2,1H3/t7-/m0/s1
InChIKeyDZPIENFBDLDGBW-ZETCQYMHSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (CID 121302158) is 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(Br)c(C(F)F)c1Cl)C(F)(F)F.
What is the InChIKey of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The InChIKey is DZPIENFBDLDGBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10BrClF5NO2S/c1-2-7(11(16,17)18)19-22(20,21)6-4-3-5(12)8(9(6)13)10(14)15/h3-4,7,10,19H,2H2,1H3/t7-/m0/s1.
What are the key properties of 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide has a molecular weight of 430.62 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-3-(difluoromethyl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121302158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).