4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide

C19H21N3O5S — CID 19258158

IUPAC4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C19H21N3O5S/c1-27-18-5-3-2-4-17(18)20-19(24)15-6-8-16(9-7-15)28(25,26)22-12-10-21(14-23)11-13-22/h2-9,14H,10-13H2,1H3,(H,20,24)
InChIKeyLVBMXPILYPVSRP-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.41
Rot. Bonds6

About 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide

4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide (PubChem CID 19258158) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
PubChem CID19258158
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C19H21N3O5S/c1-27-18-5-3-2-4-17(18)20-19(24)15-6-8-16(9-7-15)28(25,26)22-12-10-21(14-23)11-13-22/h2-9,14H,10-13H2,1H3,(H,20,24)
InChIKeyLVBMXPILYPVSRP-UHFFFAOYSA-N
XLogP1.41
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969488
4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
CID 23904570
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4541428

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide (CID 19258158) is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide?
The InChIKey is LVBMXPILYPVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-27-18-5-3-2-4-17(18)20-19(24)15-6-8-16(9-7-15)28(25,26)22-12-10-21(14-23)11-13-22/h2-9,14H,10-13H2,1H3,(H,20,24).
What are the key properties of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide?
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide has a molecular weight of 403.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 19258158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).