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

C17H17N3O6S — CID 4282639

IUPAC4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O6S/c21-17(18-14-3-5-15(6-4-14)20(22)23)13-1-7-16(8-2-13)27(24,25)19-9-11-26-12-10-19/h1-8H,9-12H2,(H,18,21)
InChIKeyYZFDQLVIOBLBOS-UHFFFAOYSA-N
MW391.41 g/mol
LogP1.87
Rot. Bonds5

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

4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide (PubChem CID 4282639) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
PubChem CID4282639
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Name4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O6S/c21-17(18-14-3-5-15(6-4-14)20(22)23)13-1-7-16(8-2-13)27(24,25)19-9-11-26-12-10-19/h1-8H,9-12H2,(H,18,21)
InChIKeyYZFDQLVIOBLBOS-UHFFFAOYSA-N
XLogP1.87
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 51.87
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

N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 24981162
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
(E)-N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108163
N-(4-morpholin-4-ylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 1108162
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
CID 4849775
N-(4-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 17015677
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide (CID 4282639) is 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The InChIKey is YZFDQLVIOBLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c21-17(18-14-3-5-15(6-4-14)20(22)23)13-1-7-16(8-2-13)27(24,25)19-9-11-26-12-10-19/h1-8H,9-12H2,(H,18,21).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide has a molecular weight of 391.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 4282639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).