4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

C19H23N5O4S — CID 18382188

IUPAC4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3N)CC2)cc1
InChIInChI=1S/C19H23N5O4S/c1-28-15-6-7-17(16(20)12-15)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11,20H2,1H3,(H3,21,22)
InChIKeyKASNAWWAFVFTQR-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.71
Rot. Bonds5

About 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 18382188) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
PubChem CID18382188
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3N)CC2)cc1
InChIInChI=1S/C19H23N5O4S/c1-28-15-6-7-17(16(20)12-15)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11,20H2,1H3,(H3,21,22)
InChIKeyKASNAWWAFVFTQR-UHFFFAOYSA-N
XLogP0.71
TPSA142.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
acetic acid;4-(4-methylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 162310862
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
acetic acid;4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162311349
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 15860387
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
acetic acid;4-[4-[(3,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]benzenecarboximidamide
CID 174431847
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
4-(2-amino-4-methoxybenzoyl)piperazine-1-sulfonamide
CID 115412870
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
acetic acid;4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162315952
4-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 18382282

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (CID 18382188) is 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3N)CC2)cc1.
What is the InChIKey of 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is KASNAWWAFVFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-28-15-6-7-17(16(20)12-15)29(26,27)24-10-8-23(9-11-24)19(25)14-4-2-13(3-5-14)18(21)22/h2-7,12H,8-11,20H2,1H3,(H3,21,22).
What are the key properties of 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 417.49 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 18382188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).