4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide

C7H9F3N2O2S3 — CID 106425735

IUPAC4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O2S3/c8-7(9,10)16-2-1-12-17(13,14)6-3-5(11)4-15-6/h3-4,12H,1-2,11H2
InChIKeyGGJXNBRAOWSEMT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.86
Rot. Bonds5

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

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106425735) has the molecular formula C7H9F3N2O2S3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
PubChem CID106425735
Molecular FormulaC7H9F3N2O2S3
Molecular Weight306.36 g/mol
Exact Mass305.98
IUPAC Name4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCCSC(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O2S3/c8-7(9,10)16-2-1-12-17(13,14)6-3-5(11)4-15-6/h3-4,12H,1-2,11H2
InChIKeyGGJXNBRAOWSEMT-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 63226058
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-amino-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 106165593
4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
5-amino-4-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106432828
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720
4-amino-N-(2-butoxyethyl)thiophene-2-sulfonamide
CID 61301356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide (CID 106425735) is 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCCSC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GGJXNBRAOWSEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S3/c8-7(9,10)16-2-1-12-17(13,14)6-3-5(11)4-15-6/h3-4,12H,1-2,11H2.
What are the key properties of 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide?
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 306.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106425735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).