N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide

C16H17F4N3O2S — CID 121139682

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)ccc1F
InChIInChI=1S/C16H17F4N3O2S/c1-10-8-12(4-5-13(10)17)26(24,25)21-6-7-23-14(11-2-3-11)9-15(22-23)16(18,19)20/h4-5,8-9,11,21H,2-3,6-7H2,1H3
InChIKeyJBQZITBVHUPHLC-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 121139682) has the molecular formula C16H17F4N3O2S and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID121139682
Molecular FormulaC16H17F4N3O2S
Molecular Weight391.39 g/mol
Exact Mass391.10
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)ccc1F
InChIInChI=1S/C16H17F4N3O2S/c1-10-8-12(4-5-13(10)17)26(24,25)21-6-7-23-14(11-2-3-11)9-15(22-23)16(18,19)20/h4-5,8-9,11,21H,2-3,6-7H2,1H3
InChIKeyJBQZITBVHUPHLC-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 121139706
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 121139660
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19581976
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139439
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
2,4,5-trichloro-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207721
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121139415
4-fluoro-3-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787104
1-butyl-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19334007
methyl 4-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]benzoate
CID 121139441

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide (CID 121139682) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)ccc1F.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is JBQZITBVHUPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2S/c1-10-8-12(4-5-13(10)17)26(24,25)21-6-7-23-14(11-2-3-11)9-15(22-23)16(18,19)20/h4-5,8-9,11,21H,2-3,6-7H2,1H3.
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 391.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 121139682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).