2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride

C10H11F4NO4S2 — CID 116814342

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H11F4NO4S2/c11-10(12,13)6-3-7-20(16,17)15-8-4-1-2-5-9(8)21(14,18)19/h1-2,4-5,15H,3,6-7H2
InChIKeyVPEKHTUNJNOQPG-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.43
Rot. Bonds6

About 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride

2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride (PubChem CID 116814342) has the molecular formula C10H11F4NO4S2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
PubChem CID116814342
Molecular FormulaC10H11F4NO4S2
Molecular Weight349.33 g/mol
Exact Mass349.01
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H11F4NO4S2/c11-10(12,13)6-3-7-20(16,17)15-8-4-1-2-5-9(8)21(14,18)19/h1-2,4-5,15H,3,6-7H2
InChIKeyVPEKHTUNJNOQPG-UHFFFAOYSA-N
XLogP2.43
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
4,4,4-trifluoro-N-[2-(3-hydroxyprop-1-ynyl)phenyl]butane-1-sulfonamide
CID 83048442
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
2-methyl-6-(4,4,4-trifluorobutylsulfonylamino)benzenecarboximidamide
CID 107806229
N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059561
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
4-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 107264942
3-fluoro-4-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83047507
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926
3-fluoro-2,2-dimethyl-N-[4-[[5-(4,4,4-trifluorobutylsulfonylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040386

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride (CID 116814342) is 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride is O=S(=O)(CCCC(F)(F)F)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride?
The InChIKey is VPEKHTUNJNOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO4S2/c11-10(12,13)6-3-7-20(16,17)15-8-4-1-2-5-9(8)21(14,18)19/h1-2,4-5,15H,3,6-7H2.
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride?
2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride has a molecular weight of 349.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride is sourced from PubChem (CID 116814342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).