4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide

C9H14F3N3O2S — CID 83059991

IUPAC4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCc1cnc[nH]1
InChIInChI=1S/C9H14F3N3O2S/c10-9(11,12)3-1-5-18(16,17)15-4-2-8-6-13-7-14-8/h6-7,15H,1-5H2,(H,13,14)
InChIKeyRKFFVZMJBXOOHT-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.21
Rot. Bonds7

About 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide (PubChem CID 83059991) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
PubChem CID83059991
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCCc1cnc[nH]1
InChIInChI=1S/C9H14F3N3O2S/c10-9(11,12)3-1-5-18(16,17)15-4-2-8-6-13-7-14-8/h6-7,15H,1-5H2,(H,13,14)
InChIKeyRKFFVZMJBXOOHT-UHFFFAOYSA-N
XLogP1.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide
CID 116816269
3-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]propane-1-sulfonamide
CID 106066548
2-[2-(1H-imidazol-5-yl)ethylsulfamoyl]acetic acid
CID 65231882
3-(1H-imidazol-5-yl)-N-methylpropane-1-sulfonamide
CID 18682699
methyl 3-[2-(1H-imidazol-5-yl)ethylsulfamoyl]propanoate
CID 65231275
N-[2-(1H-imidazol-5-yl)ethyl]prop-2-ene-1-sulfonamide
CID 79673996
4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488158
N-(1H-imidazol-5-ylmethyl)-3-(methylamino)propane-1-sulfonamide
CID 106069679
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butane-1-sulfonamide
CID 18314087
N-[2-(1H-imidazol-5-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865738
N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 65231374

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide (CID 83059991) is 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCCc1cnc[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide?
The InChIKey is RKFFVZMJBXOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c10-9(11,12)3-1-5-18(16,17)15-4-2-8-6-13-7-14-8/h6-7,15H,1-5H2,(H,13,14).
What are the key properties of 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 83059991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).