4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide

C12H18N4O4S — CID 115412870

IUPAC4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
SMILESCOc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(N)c1
InChIInChI=1S/C12H18N4O4S/c1-20-9-2-3-10(11(13)8-9)12(17)15-4-6-16(7-5-15)21(14,18)19/h2-3,8H,4-7,13H2,1H3,(H2,14,18,19)
InChIKeyDOQVOBQTSXWZFN-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.76
Rot. Bonds3

About 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide

4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide (PubChem CID 115412870) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
PubChem CID115412870
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
SMILESCOc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(N)c1
InChIInChI=1S/C12H18N4O4S/c1-20-9-2-3-10(11(13)8-9)12(17)15-4-6-16(7-5-15)21(14,18)19/h2-3,8H,4-7,13H2,1H3,(H2,14,18,19)
InChIKeyDOQVOBQTSXWZFN-UHFFFAOYSA-N
XLogP-0.76
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
(2-amino-4-methoxyphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 115413028
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
CID 61140082
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409259
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(2-hydroxy-4-methoxyphenyl)-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27796766

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide (CID 115412870) is 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide is COc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide?
The InChIKey is DOQVOBQTSXWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-9-2-3-10(11(13)8-9)12(17)15-4-6-16(7-5-15)21(14,18)19/h2-3,8H,4-7,13H2,1H3,(H2,14,18,19).
What are the key properties of 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide?
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 115412870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).