N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide

C19H17N3O8S2 — CID 4849467

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O8S2/c1-31(26,27)18-9-4-13(11-17(18)22(24)25)19(23)21-14-5-7-16(8-6-14)32(28,29)20-12-15-3-2-10-30-15/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyPQIASQHWGYDISW-UHFFFAOYSA-N
MW479.49 g/mol
LogP2.32
Rot. Bonds8

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide (PubChem CID 4849467) has the molecular formula C19H17N3O8S2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
PubChem CID4849467
Molecular FormulaC19H17N3O8S2
Molecular Weight479.49 g/mol
Exact Mass479.05
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O8S2/c1-31(26,27)18-9-4-13(11-17(18)22(24)25)19(23)21-14-5-7-16(8-6-14)32(28,29)20-12-15-3-2-10-30-15/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyPQIASQHWGYDISW-UHFFFAOYSA-N
XLogP2.32
TPSA165.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 17147213
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propan-2-yloxybenzamide
CID 17170986
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 55347552
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 46525396
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 5147041

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide (CID 4849467) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide?
The InChIKey is PQIASQHWGYDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O8S2/c1-31(26,27)18-9-4-13(11-17(18)22(24)25)19(23)21-14-5-7-16(8-6-14)32(28,29)20-12-15-3-2-10-30-15/h2-11,20H,12H2,1H3,(H,21,23).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide has a molecular weight of 479.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide is sourced from PubChem (CID 4849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).