3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide

C15H22F3N3O2S — CID 120778396

IUPAC3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)cc1C
InChIInChI=1S/C15H22F3N3O2S/c1-11-3-4-13(9-12(11)2)24(22,23)20-10-14(15(16,17)18)21-7-5-19-6-8-21/h3-4,9,14,19-20H,5-8,10H2,1-2H3
InChIKeySLJIOHKQCIZUKO-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.42
Rot. Bonds5

About 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide

3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide (PubChem CID 120778396) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
PubChem CID120778396
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC Name3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)cc1C
InChIInChI=1S/C15H22F3N3O2S/c1-11-3-4-13(9-12(11)2)24(22,23)20-10-14(15(16,17)18)21-7-5-19-6-8-21/h3-4,9,14,19-20H,5-8,10H2,1-2H3
InChIKeySLJIOHKQCIZUKO-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778661
5-fluoro-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778621
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
4-fluoro-2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778834
3-cyano-4-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778365
4-chloro-3-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778555
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349
2,5-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778544
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778669
1-methyl-4-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120778807
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide (CID 120778396) is 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
The InChIKey is SLJIOHKQCIZUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c1-11-3-4-13(9-12(11)2)24(22,23)20-10-14(15(16,17)18)21-7-5-19-6-8-21/h3-4,9,14,19-20H,5-8,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide?
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 120778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).