2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C17H23ClF3N3O3S — CID 3936034

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C17H23ClF3N3O3S/c1-11(16(25)24(3)13-6-8-23(2)9-7-13)22-28(26,27)15-10-12(17(19,20)21)4-5-14(15)18/h4-5,10-11,13,22H,6-9H2,1-3H3
InChIKeyXHNFEZPKWCWRQW-UHFFFAOYSA-N
MW441.90 g/mol
LogP2.58
Rot. Bonds5

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 3936034) has the molecular formula C17H23ClF3N3O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID3936034
Molecular FormulaC17H23ClF3N3O3S
Molecular Weight441.90 g/mol
Exact Mass441.11
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C17H23ClF3N3O3S/c1-11(16(25)24(3)13-6-8-23(2)9-7-13)22-28(26,27)15-10-12(17(19,20)21)4-5-14(15)18/h4-5,10-11,13,22H,6-9H2,1-3H3
InChIKeyXHNFEZPKWCWRQW-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 3936034) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CC(NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is XHNFEZPKWCWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF3N3O3S/c1-11(16(25)24(3)13-6-8-23(2)9-7-13)22-28(26,27)15-10-12(17(19,20)21)4-5-14(15)18/h4-5,10-11,13,22H,6-9H2,1-3H3.
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 441.90 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 3936034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).