N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C18H20FN3O4S — CID 6468041

IUPACN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-26-16-6-8-17(9-7-16)27(24,25)22-12-10-21(11-13-22)18(23)20-15-4-2-14(19)3-5-15/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyKLIAQOLIIUAYBL-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.37
Rot. Bonds4

About N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 6468041) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID6468041
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O4S/c1-26-16-6-8-17(9-7-16)27(24,25)22-12-10-21(11-13-22)18(23)20-15-4-2-14(19)3-5-15/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyKLIAQOLIIUAYBL-UHFFFAOYSA-N
XLogP2.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
4-(3,4-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46457488
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6467928
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carboxamide
CID 30938051
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3952309
N-(4-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide
CID 8659962

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 6468041) is N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is KLIAQOLIIUAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-26-16-6-8-17(9-7-16)27(24,25)22-12-10-21(11-13-22)18(23)20-15-4-2-14(19)3-5-15/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 6468041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).