N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

C16H14F3N3O2S2 — CID 122265298

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-4-6-13(7-5-12)26(23,24)21-11-14(15-3-1-10-25-15)22-9-2-8-20-22/h1-10,14,21H,11H2
InChIKeyPXUWGMSRCCGVQH-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.53
Rot. Bonds6

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 122265298) has the molecular formula C16H14F3N3O2S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID122265298
Molecular FormulaC16H14F3N3O2S2
Molecular Weight401.44 g/mol
Exact Mass401.05
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-4-6-13(7-5-12)26(23,24)21-11-14(15-3-1-10-25-15)22-9-2-8-20-22/h1-10,14,21H,11H2
InChIKeyPXUWGMSRCCGVQH-UHFFFAOYSA-N
XLogP3.53
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265246
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187
4-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55353830
4-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzene-1,4-disulfonamide
CID 55434495
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 122265298) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(c1cccs1)n1cccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PXUWGMSRCCGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S2/c17-16(18,19)12-4-6-13(7-5-12)26(23,24)21-11-14(15-3-1-10-25-15)22-9-2-8-20-22/h1-10,14,21H,11H2.
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122265298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).