4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide

C18H18ClN3O7S — CID 26174414

IUPAC4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClN3O7S/c1-28-16-5-3-13(11-17(16)30(26,27)21-6-8-29-9-7-21)20-18(23)12-2-4-14(19)15(10-12)22(24)25/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyDEFOKSMCTJJKRI-UHFFFAOYSA-N
MW455.88 g/mol
LogP2.53
Rot. Bonds6

About 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide

4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide (PubChem CID 26174414) has the molecular formula C18H18ClN3O7S and a molecular weight of 455.88 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
PubChem CID26174414
Molecular FormulaC18H18ClN3O7S
Molecular Weight455.88 g/mol
Exact Mass455.06
IUPAC Name4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18ClN3O7S/c1-28-16-5-3-13(11-17(16)30(26,27)21-6-8-29-9-7-21)20-18(23)12-2-4-14(19)15(10-12)22(24)25/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeyDEFOKSMCTJJKRI-UHFFFAOYSA-N
XLogP2.53
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 52.53
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'}

Analyze 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide 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

N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxamide
CID 25438288
methyl 6-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 30747968
3-(methoxymethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 9322729
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide (CID 26174414) is 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide?
The InChIKey is DEFOKSMCTJJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O7S/c1-28-16-5-3-13(11-17(16)30(26,27)21-6-8-29-9-7-21)20-18(23)12-2-4-14(19)15(10-12)22(24)25/h2-5,10-11H,6-9H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide?
4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide has a molecular weight of 455.88 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 26174414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).