N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide

C24H19N3O6S — CID 2940303

IUPACN-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H19N3O6S/c28-24(16-10-12-25-13-11-16)26(34(31,32)19-5-3-4-18(14-19)27(29)30)17-8-9-23-21(15-17)20-6-1-2-7-22(20)33-23/h3-5,8-15H,1-2,6-7H2
InChIKeyUHJXCTGYFNIRSB-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.65
Rot. Bonds5

About N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide

N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide (PubChem CID 2940303) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide
PubChem CID2940303
Molecular FormulaC24H19N3O6S
Molecular Weight477.50 g/mol
Exact Mass477.10
IUPAC NameN-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H19N3O6S/c28-24(16-10-12-25-13-11-16)26(34(31,32)19-5-3-4-18(14-19)27(29)30)17-8-9-23-21(15-17)20-6-1-2-7-22(20)33-23/h3-5,8-15H,1-2,6-7H2
InChIKeyUHJXCTGYFNIRSB-UHFFFAOYSA-N
XLogP4.65
TPSA123.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
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

N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23746358
4-nitro-N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23880591
N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 11842186
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2-methyl-5-nitrophenyl)sulfonylbenzamide
CID 15994596
N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
CID 19211365
ethyl 5-[(4-ethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 15998902
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-3-nitro-N-quinolin-8-ylsulfonylbenzamide
CID 1298050
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide
CID 992538
N-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)cyclohexanecarboxamide
CID 4520906
ethyl 5-[(4-fluorophenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 23917561
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 10862483
N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-nitrobenzamide
CID 19211368

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide (CID 2940303) is N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide is O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide?
The InChIKey is UHJXCTGYFNIRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c28-24(16-10-12-25-13-11-16)26(34(31,32)19-5-3-4-18(14-19)27(29)30)17-8-9-23-21(15-17)20-6-1-2-7-22(20)33-23/h3-5,8-15H,1-2,6-7H2.
What are the key properties of N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide?
N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 2940303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).