N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide

C25H19ClN2O6S — CID 23746358

IUPACN-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O6S/c26-17-7-12-20(13-8-17)35(32,33)27(25(29)16-5-9-18(10-6-16)28(30)31)19-11-14-24-22(15-19)21-3-1-2-4-23(21)34-24/h5-15H,1-4H2
InChIKeyQYIUZGNEYBCTCK-UHFFFAOYSA-N
MW510.96 g/mol
LogP5.91
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide

N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide (PubChem CID 23746358) has the molecular formula C25H19ClN2O6S and a molecular weight of 510.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
PubChem CID23746358
Molecular FormulaC25H19ClN2O6S
Molecular Weight510.96 g/mol
Exact Mass510.07
IUPAC NameN-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H19ClN2O6S/c26-17-7-12-20(13-8-17)35(32,33)27(25(29)16-5-9-18(10-6-16)28(30)31)19-11-14-24-22(15-19)21-3-1-2-4-23(21)34-24/h5-15H,1-4H2
InChIKeyQYIUZGNEYBCTCK-UHFFFAOYSA-N
XLogP5.91
TPSA110.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.96
LogP ≤ 55.91
H-Bond Donors ≤ 50
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

4-nitro-N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23880591
4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
CID 23829125
N-(3-nitrophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)pyridine-4-carboxamide
CID 2940303
4-chloro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,5-trimethylphenyl)sulfonylbenzamide
CID 23945504
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzamide
CID 18560654
N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 11842186
N-(4-chloro-3-methylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 23767080
ethyl 5-[(4-ethylphenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 15998902
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
ethyl 5-[(4-fluorophenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate
CID 23917561
N-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)cyclohexanecarboxamide
CID 4520906
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(benzenesulfonyl)-4-chlorobenzamide
CID 6618120

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide (CID 23746358) is N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
The InChIKey is QYIUZGNEYBCTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O6S/c26-17-7-12-20(13-8-17)35(32,33)27(25(29)16-5-9-18(10-6-16)28(30)31)19-11-14-24-22(15-19)21-3-1-2-4-23(21)34-24/h5-15H,1-4H2.
What are the key properties of N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide?
N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide has a molecular weight of 510.96 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-4-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide is sourced from PubChem (CID 23746358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).