4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H12BrClF3NO2S — CID 61217134

IUPAC4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClF3NO2S/c1-7(2)17(6-11(14,15)16)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyMMDNUJNJFVAPRJ-UHFFFAOYSA-N
MW394.64 g/mol
LogP4.06
Rot. Bonds4

About 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61217134) has the molecular formula C11H12BrClF3NO2S and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61217134
Molecular FormulaC11H12BrClF3NO2S
Molecular Weight394.64 g/mol
Exact Mass392.94
IUPAC Name4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrClF3NO2S/c1-7(2)17(6-11(14,15)16)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3
InChIKeyMMDNUJNJFVAPRJ-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61217134) is 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MMDNUJNJFVAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF3NO2S/c1-7(2)17(6-11(14,15)16)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 394.64 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61217134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).