N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide

C18H26F3N3O2S — CID 24945996

IUPACN-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C18H26F3N3O2S/c1-17(2,13-6-7-13)23-27(25,26)16-9-8-14(12-15(16)18(19,20)21)22-24-10-4-3-5-11-24/h8-9,12-13,22-23H,3-7,10-11H2,1-2H3
InChIKeyZQLQOIAWUSKDNB-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.99
Rot. Bonds6

About N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide

N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24945996) has the molecular formula C18H26F3N3O2S and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24945996
Molecular FormulaC18H26F3N3O2S
Molecular Weight405.49 g/mol
Exact Mass405.17
IUPAC NameN-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C18H26F3N3O2S/c1-17(2,13-6-7-13)23-27(25,26)16-9-8-14(12-15(16)18(19,20)21)22-24-10-4-3-5-11-24/h8-9,12-13,22-23H,3-7,10-11H2,1-2H3
InChIKeyZQLQOIAWUSKDNB-UHFFFAOYSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 24945996) is N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZQLQOIAWUSKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2S/c1-17(2,13-6-7-13)23-27(25,26)16-9-8-14(12-15(16)18(19,20)21)22-24-10-4-3-5-11-24/h8-9,12-13,22-23H,3-7,10-11H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 405.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24945996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).