N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

C16H24FN3O4S — CID 110811236

IUPACN-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-16(2,3)18-15(21)19-7-9-20(10-8-19)25(22,23)12-5-6-14(24-4)13(17)11-12/h5-6,11H,7-10H2,1-4H3,(H,18,21)
InChIKeyVXGUDNMJVUQPJY-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.65
Rot. Bonds3

About N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide

N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 110811236) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID110811236
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC NameN-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1F
InChIInChI=1S/C16H24FN3O4S/c1-16(2,3)18-15(21)19-7-9-20(10-8-19)25(22,23)12-5-6-14(24-4)13(17)11-12/h5-6,11H,7-10H2,1-4H3,(H,18,21)
InChIKeyVXGUDNMJVUQPJY-UHFFFAOYSA-N
XLogP1.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
methyl 4-(3-tert-butyl-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818549
[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 112823147
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyanilino)ethanone
CID 55897884
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
4-(3,4-dimethoxyphenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide
CID 46486070
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoate
CID 2051858

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide (CID 110811236) is N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1F.
What is the InChIKey of N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is VXGUDNMJVUQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-16(2,3)18-15(21)19-7-9-20(10-8-19)25(22,23)12-5-6-14(24-4)13(17)11-12/h5-6,11H,7-10H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide?
N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 110811236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).