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

C18H28FN3O2S — CID 70908262

IUPACN-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF)C1CC1
InChIInChI=1S/C18H28FN3O2S/c1-18(2,15-6-7-15)21-25(23,24)17-9-8-16(12-14(17)13-19)20-22-10-4-3-5-11-22/h8-9,12,15,20-21H,3-7,10-11,13H2,1-2H3
InChIKeyPKKOVZYKQKJTJR-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.44
Rot. Bonds7

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

N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide (PubChem CID 70908262) has the molecular formula C18H28FN3O2S and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
PubChem CID70908262
Molecular FormulaC18H28FN3O2S
Molecular Weight369.51 g/mol
Exact Mass369.19
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF)C1CC1
InChIInChI=1S/C18H28FN3O2S/c1-18(2,15-6-7-15)21-25(23,24)17-9-8-16(12-14(17)13-19)20-22-10-4-3-5-11-22/h8-9,12,15,20-21H,3-7,10-11,13H2,1-2H3
InChIKeyPKKOVZYKQKJTJR-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.44
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)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide (CID 70908262) is N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(NN2CCCCC2)cc1CF)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
The InChIKey is PKKOVZYKQKJTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2S/c1-18(2,15-6-7-15)21-25(23,24)17-9-8-16(12-14(17)13-19)20-22-10-4-3-5-11-22/h8-9,12,15,20-21H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide?
N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide has a molecular weight of 369.51 g/mol, XLogP of 3.44, 7 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)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 70908262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).