N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C17H24FN3O3S — CID 68998512

IUPACN-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(c2ccc(C3CC3)c(F)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-7-9-20(10-8-19)17(22)12-21(25(2,23)24)14-5-6-15(13-3-4-13)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyGJWLWULGLTWTRF-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.24
Rot. Bonds5

About N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 68998512) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID68998512
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(c2ccc(C3CC3)c(F)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-7-9-20(10-8-19)17(22)12-21(25(2,23)24)14-5-6-15(13-3-4-13)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3
InChIKeyGJWLWULGLTWTRF-UHFFFAOYSA-N
XLogP1.24
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 68998512) is N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CN1CCN(C(=O)CN(c2ccc(C3CC3)c(F)c2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is GJWLWULGLTWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-19-7-9-20(10-8-19)17(22)12-21(25(2,23)24)14-5-6-15(13-3-4-13)16(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 68998512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).