N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide

C14H19FN4O2S — CID 134043620

IUPACN-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN4O2S/c1-17(8-2-7-16)22(20,21)19-11-9-18(10-12-19)14-5-3-13(15)4-6-14/h3-6H,2,8-12H2,1H3
InChIKeyHBZPNFVWVWYKLI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.04
Rot. Bonds5

About N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide

N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide (PubChem CID 134043620) has the molecular formula C14H19FN4O2S and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide
PubChem CID134043620
Molecular FormulaC14H19FN4O2S
Molecular Weight326.40 g/mol
Exact Mass326.12
IUPAC NameN-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN4O2S/c1-17(8-2-7-16)22(20,21)19-11-9-18(10-12-19)14-5-3-13(15)4-6-14/h3-6H,2,8-12H2,1H3
InChIKeyHBZPNFVWVWYKLI-UHFFFAOYSA-N
XLogP1.04
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
CID 35430981
N-(2-cyanoethyl)-4-ethyl-N-methylpiperazine-1-sulfonamide
CID 134043550
4-benzoyl-N-(2-cyanoethyl)-N-methylpiperazine-1-sulfonamide
CID 35431424
N-(2-cyanoethyl)-4-(2-fluorobenzoyl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 78858133
4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
CID 167248237
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
1-(4-fluorophenyl)-4-(4-phenylbut-3-ynylsulfonyl)piperazine
CID 141149155
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8704113
2-ethoxy-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 171134179

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide (CID 134043620) is N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide is CN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide?
The InChIKey is HBZPNFVWVWYKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2S/c1-17(8-2-7-16)22(20,21)19-11-9-18(10-12-19)14-5-3-13(15)4-6-14/h3-6H,2,8-12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide?
N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 134043620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).