4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide

C12H18N4O4S — CID 61140082

IUPAC4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
SMILESCOc1ccc(N)cc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H18N4O4S/c1-20-11-3-2-9(13)8-10(11)12(17)15-4-6-16(7-5-15)21(14,18)19/h2-3,8H,4-7,13H2,1H3,(H2,14,18,19)
InChIKeyYAWLVAMTMPYJCR-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.76
Rot. Bonds3

About 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide

4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide (PubChem CID 61140082) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
PubChem CID61140082
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
SMILESCOc1ccc(N)cc1C(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C12H18N4O4S/c1-20-11-3-2-9(13)8-10(11)12(17)15-4-6-16(7-5-15)21(14,18)19/h2-3,8H,4-7,13H2,1H3,(H2,14,18,19)
InChIKeyYAWLVAMTMPYJCR-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

(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948
(5-amino-2-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 61418709
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
4-(2-bromo-5-methoxybenzoyl)piperazine-1-sulfonamide
CID 61040729
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 30102559
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
(2,5-dimethoxyphenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810052
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
(5-amino-2-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796669
4-(2-methoxy-5-methylbenzoyl)-N,N-dimethyl-1,4-diazepane-1-sulfonamide
CID 110810350
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide (CID 61140082) is 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide is COc1ccc(N)cc1C(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide?
The InChIKey is YAWLVAMTMPYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-11-3-2-9(13)8-10(11)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-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide?
4-(5-amino-2-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-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61140082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).