[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone

C18H19F2N3OS — CID 1182724

IUPAC[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C18H19F2N3OS/c19-18(20)25-14-7-5-13(6-8-14)22-16-4-2-1-3-15(16)17(24)23-11-9-21-10-12-23/h1-8,18,21-22H,9-12H2
InChIKeyGVGMTNTXHPNULH-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.79
Rot. Bonds5

About [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone

[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone (PubChem CID 1182724) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
PubChem CID1182724
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Name[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCNCC1
InChIInChI=1S/C18H19F2N3OS/c19-18(20)25-14-7-5-13(6-8-14)22-16-4-2-1-3-15(16)17(24)23-11-9-21-10-12-23/h1-8,18,21-22H,9-12H2
InChIKeyGVGMTNTXHPNULH-UHFFFAOYSA-N
XLogP3.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[2-[4-(difluoromethylsulfanyl)anilino]phenyl]methanone
CID 2313407
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268
[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]-phenylmethanone
CID 112792151
2-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55520479
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 2313287
(2S)-1-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]pyrrolidine-2-carboxylic acid
CID 1184280
2-[4-(difluoromethylsulfanyl)anilino]-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 21179535
(2S)-1-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]pyrrolidine-2-carboxylate
CID 6973014
(2-morpholin-4-yl-2-oxoethyl) 2-[4-(difluoromethylsulfanyl)anilino]benzoate
CID 16540557
2-[4-(difluoromethylsulfanyl)anilino]-N-methyl-N-propan-2-ylbenzamide
CID 112812209
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[4-(difluoromethylsulfanyl)anilino]benzamide
CID 112767631
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone (CID 1182724) is [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone is O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCNCC1.
What is the InChIKey of [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is GVGMTNTXHPNULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c19-18(20)25-14-7-5-13(6-8-14)22-16-4-2-1-3-15(16)17(24)23-11-9-21-10-12-23/h1-8,18,21-22H,9-12H2.
What are the key properties of [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone?
[2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 363.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethylsulfanyl)anilino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 1182724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).