N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide

C15H15N3O7S — CID 17145961

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O7S/c19-15(13-4-5-14(25-13)18(20)21)16-11-2-1-3-12(10-11)26(22,23)17-6-8-24-9-7-17/h1-5,10H,6-9H2,(H,16,19)
InChIKeyQJTPNJAJIKLYPY-UHFFFAOYSA-N
MW381.37 g/mol
LogP1.46
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 17145961) has the molecular formula C15H15N3O7S and a molecular weight of 381.37 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID17145961
Molecular FormulaC15H15N3O7S
Molecular Weight381.37 g/mol
Exact Mass381.06
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O7S/c19-15(13-4-5-14(25-13)18(20)21)16-11-2-1-3-12(10-11)26(22,23)17-6-8-24-9-7-17/h1-5,10H,6-9H2,(H,16,19)
InChIKeyQJTPNJAJIKLYPY-UHFFFAOYSA-N
XLogP1.46
TPSA131.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 51.46
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'}

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Related Compounds

5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4572523
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
CID 17452404
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-[4-(4-tert-butylpiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide;N-[4-(4-fluoropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide;methane
CID 158593313
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide (CID 17145961) is N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is QJTPNJAJIKLYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O7S/c19-15(13-4-5-14(25-13)18(20)21)16-11-2-1-3-12(10-11)26(22,23)17-6-8-24-9-7-17/h1-5,10H,6-9H2,(H,16,19).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 17145961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).