N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide

C16H22FN3O3S — CID 17449698

IUPACN-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C16H22FN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)
InChIKeyLZAAVWCAVQDLQB-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.64
Rot. Bonds4

About N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 17449698) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID17449698
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC NameN-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1
InChIInChI=1S/C16H22FN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)
InChIKeyLZAAVWCAVQDLQB-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-cyclopropylethylamino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55400201
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(2R)-N-cyclopentyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8512706
4-(2-fluorophenyl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CID 8745724
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256
N-[2-(4-fluorophenyl)ethyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27532247
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78780160
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 55930286
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 17490101

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 17449698) is N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is LZAAVWCAVQDLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-12(13-6-7-13)18-16(21)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21).
What are the key properties of N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 17449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).