N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide

C16H18F3N3O3S — CID 121139678

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C16H18F3N3O3S/c1-25-12-3-2-4-13(9-12)26(23,24)20-7-8-22-14(11-5-6-11)10-15(21-22)16(17,18)19/h2-4,9-11,20H,5-8H2,1H3
InChIKeyIRAGLXWBBJMMDO-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.77
Rot. Bonds7

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide (PubChem CID 121139678) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide
PubChem CID121139678
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C16H18F3N3O3S/c1-25-12-3-2-4-13(9-12)26(23,24)20-7-8-22-14(11-5-6-11)10-15(21-22)16(17,18)19/h2-4,9-11,20H,5-8H2,1H3
InChIKeyIRAGLXWBBJMMDO-UHFFFAOYSA-N
XLogP2.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 121139660
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]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 121139682
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
methyl 4-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]benzoate
CID 121139441
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19581976
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
CID 71807788

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide (CID 121139678) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is IRAGLXWBBJMMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-25-12-3-2-4-13(9-12)26(23,24)20-7-8-22-14(11-5-6-11)10-15(21-22)16(17,18)19/h2-4,9-11,20H,5-8H2,1H3.
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 121139678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).