N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide

C8H7BrF3NO2S — CID 142167173

IUPACN-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF3NO2S/c9-6-1-3-7(4-2-6)13-16(14,15)5-8(10,11)12/h1-4,13H,5H2
InChIKeySMGHVUHPAUDDJC-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.75
Rot. Bonds3

About N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide

N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 142167173) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID142167173
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC NameN-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF3NO2S/c9-6-1-3-7(4-2-6)13-16(14,15)5-8(10,11)12/h1-4,13H,5H2
InChIKeySMGHVUHPAUDDJC-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide (CID 142167173) is N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide is O=S(=O)(CC(F)(F)F)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is SMGHVUHPAUDDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c9-6-1-3-7(4-2-6)13-16(14,15)5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide?
N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 318.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 142167173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).