4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H19N3O6S — CID 2175057

IUPAC4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O6S/c1-27-17-9-4-13(12-16(17)21(23)24)18(22)19-14-5-7-15(8-6-14)28(25,26)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,22)
InChIKeyJIPIWCRERDSELK-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.64
Rot. Bonds6

About 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2175057) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2175057
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O6S/c1-27-17-9-4-13(12-16(17)21(23)24)18(22)19-14-5-7-15(8-6-14)28(25,26)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,22)
InChIKeyJIPIWCRERDSELK-UHFFFAOYSA-N
XLogP2.64
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.64
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'}

Analyze 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
CID 3256817
4-methoxy-3-nitro-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
CID 4445182
3-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4830546
N-[2-(1-cyclohexen-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 888375
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477
4-ethoxy-N-(2-ethoxyphenyl)-3-nitrobenzamide
CID 833818
4-ethoxy-N-{4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}-3-nitrobenzamide
CID 1290529
4-methoxy-3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
CID 1302703
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2175057) is 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JIPIWCRERDSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-27-17-9-4-13(12-16(17)21(23)24)18(22)19-14-5-7-15(8-6-14)28(25,26)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 405.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2175057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).