2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide

C19H21N3O6S — CID 19257937

IUPAC2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O6S/c1-28-18-10-9-16(29(26,27)21-11-3-2-4-12-21)13-17(18)19(23)20-14-5-7-15(8-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)
InChIKeyLVHCZSRWHDYROR-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.03
Rot. Bonds6

About 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide

2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 19257937) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID19257937
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O6S/c1-28-18-10-9-16(29(26,27)21-11-3-2-4-12-21)13-17(18)19(23)20-14-5-7-15(8-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,20,23)
InChIKeyLVHCZSRWHDYROR-UHFFFAOYSA-N
XLogP3.03
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 39753370
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide
CID 26065828
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 99966940

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 19257937) is 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LVHCZSRWHDYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-28-18-10-9-16(29(26,27)21-11-3-2-4-12-21)13-17(18)19(23)20-14-5-7-15(8-6-14)22(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,20,23).
What are the key properties of 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 19257937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).