N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H20ClF4N3O3S — CID 164862553

IUPACN-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCNCC1)c1ccc(Cl)c(F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20ClF4N3O3S/c20-16-6-1-13(11-17(16)21)18(12-27-9-7-25-8-10-27)26-31(28,29)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25-26H,7-10,12H2/t18-/m1/s1
InChIKeyQANPQBNQFYJVQG-GOSISDBHSA-N
MW481.90 g/mol
LogP3.30
Rot. Bonds7

About N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862553) has the molecular formula C19H20ClF4N3O3S and a molecular weight of 481.90 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862553
Molecular FormulaC19H20ClF4N3O3S
Molecular Weight481.90 g/mol
Exact Mass481.09
IUPAC NameN-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(N[C@H](CN1CCNCC1)c1ccc(Cl)c(F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H20ClF4N3O3S/c20-16-6-1-13(11-17(16)21)18(12-27-9-7-25-8-10-27)26-31(28,29)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25-26H,7-10,12H2/t18-/m1/s1
InChIKeyQANPQBNQFYJVQG-GOSISDBHSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide 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

N-[(1S)-1-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862427
N-[(1S)-2-[3-(azetidin-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170764866
N-[1-(3,4-dichlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862320
N-[2-[3-(azetidin-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170764966
N-[(1R)-2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(3,4-dichlorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 172854330
N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862554
N-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862097
N-[1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862395
methyl (2R)-2-(3,4-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 171593332
tert-butyl 4-[2-(2,4-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]piperazine-1-carboxylate
CID 170764863
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119415385
3-(3,5-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430464

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862553) is N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(N[C@H](CN1CCNCC1)c1ccc(Cl)c(F)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QANPQBNQFYJVQG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20ClF4N3O3S/c20-16-6-1-13(11-17(16)21)18(12-27-9-7-25-8-10-27)26-31(28,29)15-4-2-14(3-5-15)30-19(22,23)24/h1-6,11,18,25-26H,7-10,12H2/t18-/m1/s1.
What are the key properties of N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 481.90 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).