2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

C9H10BrF3N2O2S2 — CID 106425720

IUPAC2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H10BrF3N2O2S2/c10-6-1-2-8(7(14)5-6)19(16,17)15-3-4-18-9(11,12)13/h1-2,5,15H,3-4,14H2
InChIKeyRYDUCZDPZYNLAJ-UHFFFAOYSA-N
MW379.22 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 106425720) has the molecular formula C9H10BrF3N2O2S2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID106425720
Molecular FormulaC9H10BrF3N2O2S2
Molecular Weight379.22 g/mol
Exact Mass377.93
IUPAC Name2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H10BrF3N2O2S2/c10-6-1-2-8(7(14)5-6)19(16,17)15-3-4-18-9(11,12)13/h1-2,5,15H,3-4,14H2
InChIKeyRYDUCZDPZYNLAJ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
2-amino-4-bromo-N-pent-4-ynylbenzenesulfonamide
CID 114159863
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
4-(aminomethyl)-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433784
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433770
5-(aminomethyl)-2-bromo-3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433714
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
N-(2-aminoethyl)-4-bromo-2-(trifluoromethyl)benzenesulfonamide
CID 100648205
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (CID 106425720) is 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is RYDUCZDPZYNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2S2/c10-6-1-2-8(7(14)5-6)19(16,17)15-3-4-18-9(11,12)13/h1-2,5,15H,3-4,14H2.
What are the key properties of 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 379.22 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).