4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide

C7H10F3N3O2S — CID 83057926

IUPAC4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)3-1-5-16(14,15)13-6-2-4-11-12-6/h2,4H,1,3,5H2,(H2,11,12,13)
InChIKeyUKFSDZDGCMXLIO-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.49
Rot. Bonds5

About 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide

4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide (PubChem CID 83057926) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
PubChem CID83057926
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)3-1-5-16(14,15)13-6-2-4-11-12-6/h2,4H,1,3,5H2,(H2,11,12,13)
InChIKeyUKFSDZDGCMXLIO-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104621057
N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 115968063
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
4,4,4-trifluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)butane-1-sulfonamide
CID 83058521
N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068756
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
CID 116814342
1-(4-methylphenyl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 68865423
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 83059273

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide (CID 83057926) is 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1ccn[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide?
The InChIKey is UKFSDZDGCMXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c8-7(9,10)3-1-5-16(14,15)13-6-2-4-11-12-6/h2,4H,1,3,5H2,(H2,11,12,13).
What are the key properties of 4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide has a molecular weight of 257.24 g/mol, XLogP of 1.49, 5 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-(1H-pyrazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 83057926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).