N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide

C22H24F3N3O3S — CID 17482943

IUPACN-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)18-5-1-16(2-6-18)15-27-11-13-28(14-12-27)21(29)17-3-9-20(10-4-17)32(30,31)26-19-7-8-19/h1-6,9-10,19,26H,7-8,11-15H2
InChIKeyDTTCLLWYXDPGFA-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.10
Rot. Bonds6

About N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 17482943) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
PubChem CID17482943
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)18-5-1-16(2-6-18)15-27-11-13-28(14-12-27)21(29)17-3-9-20(10-4-17)32(30,31)26-19-7-8-19/h1-6,9-10,19,26H,7-8,11-15H2
InChIKeyDTTCLLWYXDPGFA-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
[4-(piperidin-1-ylmethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24654694
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-cyclopropyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 46628428
[4-(1,3-dithiolan-2-yl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26787762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide (CID 17482943) is N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is DTTCLLWYXDPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c23-22(24,25)18-5-1-16(2-6-18)15-27-11-13-28(14-12-27)21(29)17-3-9-20(10-4-17)32(30,31)26-19-7-8-19/h1-6,9-10,19,26H,7-8,11-15H2.
What are the key properties of N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 467.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 17482943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).