4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide

C15H20F3N3O4S2 — CID 67126632

IUPAC4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCN(C3CC3)CC2)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O4S2/c16-15(17,18)26(22,23)14-9-12(27(19,24)25)3-4-13(14)20-10-5-7-21(8-6-10)11-1-2-11/h3-4,9-11,20H,1-2,5-8H2,(H2,19,24,25)
InChIKeyQWHFDEXVFZGEKR-UHFFFAOYSA-N
MW427.47 g/mol
LogP1.67
Rot. Bonds5

About 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide

4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 67126632) has the molecular formula C15H20F3N3O4S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID67126632
Molecular FormulaC15H20F3N3O4S2
Molecular Weight427.47 g/mol
Exact Mass427.08
IUPAC Name4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCN(C3CC3)CC2)c(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O4S2/c16-15(17,18)26(22,23)14-9-12(27(19,24)25)3-4-13(14)20-10-5-7-21(8-6-10)11-1-2-11/h3-4,9-11,20H,1-2,5-8H2,(H2,19,24,25)
InChIKeyQWHFDEXVFZGEKR-UHFFFAOYSA-N
XLogP1.67
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide (CID 67126632) is 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCN(C3CC3)CC2)c(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is QWHFDEXVFZGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O4S2/c16-15(17,18)26(22,23)14-9-12(27(19,24)25)3-4-13(14)20-10-5-7-21(8-6-10)11-1-2-11/h3-4,9-11,20H,1-2,5-8H2,(H2,19,24,25).
What are the key properties of 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide?
4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 427.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 67126632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).