N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide

C18H19F2N3O3S — CID 9207931

IUPACN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H19F2N3O3S/c19-15-7-5-14(6-8-15)13-21-18(24)22-9-11-23(12-10-22)27(25,26)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
InChIKeyHFLCOGUMGSNINR-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.18
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 9207931) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID9207931
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H19F2N3O3S/c19-15-7-5-14(6-8-15)13-21-18(24)22-9-11-23(12-10-22)27(25,26)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
InChIKeyHFLCOGUMGSNINR-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
2-{benzyl[(4-fluorophenyl)sulfonyl]amino}-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 2301453
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzene-1-sulfonamide
CID 2384883
N-benzyl-4-(4-fluorobenzenesulfonyl)piperazine-1-carbothioamide
CID 2442071
N-benzyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 2442236
4-(benzenesulfonyl)-N-benzylpiperazine-1-carbothioamide
CID 2443926
N-{[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]carbonyl}-4-methylbenzenesulfonamide
CID 2796174

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 9207931) is N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is HFLCOGUMGSNINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-15-7-5-14(6-8-15)13-21-18(24)22-9-11-23(12-10-22)27(25,26)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 9207931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).