N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

C14H19F3N2O3S — CID 3434273

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O3S/c1-18-9-7-11(8-10-18)19(2)23(20,21)13-5-3-12(4-6-13)22-14(15,16)17/h3-6,11H,7-10H2,1-2H3
InChIKeyLSDPEHNPWLMKGM-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3434273) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3434273
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O3S/c1-18-9-7-11(8-10-18)19(2)23(20,21)13-5-3-12(4-6-13)22-14(15,16)17/h3-6,11H,7-10H2,1-2H3
InChIKeyLSDPEHNPWLMKGM-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3434273) is N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LSDPEHNPWLMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-18-9-7-11(8-10-18)19(2)23(20,21)13-5-3-12(4-6-13)22-14(15,16)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 352.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3434273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).