2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide

C19H22N4O6S — CID 99966940

IUPAC2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O6S/c1-21-8-10-22(11-9-21)30(27,28)16-6-7-18(29-2)17(13-16)19(24)20-14-4-3-5-15(12-14)23(25)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyIWVQWYGEQXCSHH-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.79
Rot. Bonds6

About 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide

2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide (PubChem CID 99966940) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
PubChem CID99966940
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC Name2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O6S/c1-21-8-10-22(11-9-21)30(27,28)16-6-7-18(29-2)17(13-16)19(24)20-14-4-3-5-15(12-14)23(25)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyIWVQWYGEQXCSHH-UHFFFAOYSA-N
XLogP1.79
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
N-(4-ethylphenyl)-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966889
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968886
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 39753370
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 19684836
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132665450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide (CID 99966940) is 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
The InChIKey is IWVQWYGEQXCSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-21-8-10-22(11-9-21)30(27,28)16-6-7-18(29-2)17(13-16)19(24)20-14-4-3-5-15(12-14)23(25)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide?
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide has a molecular weight of 434.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 99966940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).