N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide

C18H14ClN3O6S — CID 112789500

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O6S/c1-11-5-6-13(20-18(23)15-7-8-17(28-15)22(24)25)10-16(11)29(26,27)21-14-4-2-3-12(19)9-14/h2-10,21H,1H3,(H,20,23)
InChIKeyNODZVOCUSXKAFZ-UHFFFAOYSA-N
MW435.85 g/mol
LogP4.20
Rot. Bonds6

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide (PubChem CID 112789500) has the molecular formula C18H14ClN3O6S and a molecular weight of 435.85 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
PubChem CID112789500
Molecular FormulaC18H14ClN3O6S
Molecular Weight435.85 g/mol
Exact Mass435.03
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O6S/c1-11-5-6-13(20-18(23)15-7-8-17(28-15)22(24)25)10-16(11)29(26,27)21-14-4-2-3-12(19)9-14/h2-10,21H,1H3,(H,20,23)
InChIKeyNODZVOCUSXKAFZ-UHFFFAOYSA-N
XLogP4.20
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
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-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789454
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 31302777
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55787366

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide (CID 112789500) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is NODZVOCUSXKAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O6S/c1-11-5-6-13(20-18(23)15-7-8-17(28-15)22(24)25)10-16(11)29(26,27)21-14-4-2-3-12(19)9-14/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 435.85 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 112789500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).