4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide

C17H16ClN3O6S — CID 1121791

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16ClN3O6S/c18-15-5-4-12(10-16(15)28(25,26)20-6-8-27-9-7-20)17(22)19-13-2-1-3-14(11-13)21(23)24/h1-5,10-11H,6-9H2,(H,19,22)
InChIKeyDUTDKKBMWLVRTR-UHFFFAOYSA-N
MW425.85 g/mol
LogP2.52
Rot. Bonds5

About 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide

4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide (PubChem CID 1121791) has the molecular formula C17H16ClN3O6S and a molecular weight of 425.85 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
PubChem CID1121791
Molecular FormulaC17H16ClN3O6S
Molecular Weight425.85 g/mol
Exact Mass425.04
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16ClN3O6S/c18-15-5-4-12(10-16(15)28(25,26)20-6-8-27-9-7-20)17(22)19-13-2-1-3-14(11-13)21(23)24/h1-5,10-11H,6-9H2,(H,19,22)
InChIKeyDUTDKKBMWLVRTR-UHFFFAOYSA-N
XLogP2.52
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 52.52
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

[1-(3-nitroanilino)-1-oxopropan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55313272
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(3-nitrophenyl)urea
CID 34064094
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
4-bromo-3-(4-methylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 1310346
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzamide
CID 26174414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide (CID 1121791) is 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide?
The InChIKey is DUTDKKBMWLVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6S/c18-15-5-4-12(10-16(15)28(25,26)20-6-8-27-9-7-20)17(22)19-13-2-1-3-14(11-13)21(23)24/h1-5,10-11H,6-9H2,(H,19,22).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide has a molecular weight of 425.85 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 1121791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).