N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C19H23F3N4O2S — CID 86969810

IUPACN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N4O2S/c1-15(14-25-10-12-26(13-11-25)18-8-4-5-9-23-18)24-29(27,28)17-7-3-2-6-16(17)19(20,21)22/h2-9,15,24H,10-14H2,1H3
InChIKeyTWLPNLBPNOEQKV-UHFFFAOYSA-N
MW428.48 g/mol
LogP2.59
Rot. Bonds6

About N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 86969810) has the molecular formula C19H23F3N4O2S and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID86969810
Molecular FormulaC19H23F3N4O2S
Molecular Weight428.48 g/mol
Exact Mass428.15
IUPAC NameN-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H23F3N4O2S/c1-15(14-25-10-12-26(13-11-25)18-8-4-5-9-23-18)24-29(27,28)17-7-3-2-6-16(17)19(20,21)22/h2-9,15,24H,10-14H2,1H3
InChIKeyTWLPNLBPNOEQKV-UHFFFAOYSA-N
XLogP2.59
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
4-methyl-3-nitro-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 86969788
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
5-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167796027
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968929
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 80544367
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
CID 86968796

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 86969810) is N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is CC(CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TWLPNLBPNOEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2S/c1-15(14-25-10-12-26(13-11-25)18-8-4-5-9-23-18)24-29(27,28)17-7-3-2-6-16(17)19(20,21)22/h2-9,15,24H,10-14H2,1H3.
What are the key properties of N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).