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

C9H11F3N2O2S2 — CID 75406437

IUPAC4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)17-6-5-14-18(15,16)8-3-1-7(13)2-4-8/h1-4,14H,5-6,13H2
InChIKeyHQQLYVCIGTYROU-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.80
Rot. Bonds5

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

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 75406437) has the molecular formula C9H11F3N2O2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID75406437
Molecular FormulaC9H11F3N2O2S2
Molecular Weight300.33 g/mol
Exact Mass300.02
IUPAC Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O2S2/c10-9(11,12)17-6-5-14-18(15,16)8-3-1-7(13)2-4-8/h1-4,14H,5-6,13H2
InChIKeyHQQLYVCIGTYROU-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.80
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

4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106425735
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (CID 75406437) is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is HQQLYVCIGTYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S2/c10-9(11,12)17-6-5-14-18(15,16)8-3-1-7(13)2-4-8/h1-4,14H,5-6,13H2.
What are the key properties of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 300.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 75406437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).