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

C10H10BrClF3NO2S — CID 121302224

IUPAC4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO2S/c1-2-9(10(13,14)15)16-19(17,18)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3/t9-/m0/s1
InChIKeyWEJOQVFXOQZXEA-VIFPVBQESA-N
MW380.61 g/mol
LogP3.72
Rot. Bonds4

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

4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (PubChem CID 121302224) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
PubChem CID121302224
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC Name4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO2S/c1-2-9(10(13,14)15)16-19(17,18)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3/t9-/m0/s1
InChIKeyWEJOQVFXOQZXEA-VIFPVBQESA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide (CID 121302224) is 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is CC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
The InChIKey is WEJOQVFXOQZXEA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c1-2-9(10(13,14)15)16-19(17,18)6-3-4-7(11)8(12)5-6/h3-5,9,16H,2H2,1H3/t9-/m0/s1.
What are the key properties of 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide?
4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide has a molecular weight of 380.61 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 121302224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).