4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide

C19H17N3O6S — CID 55347552

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17N3O6S/c1-13-4-7-15(22(24)25)11-18(13)21-19(23)14-5-8-17(9-6-14)29(26,27)20-12-16-3-2-10-28-16/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyREAQKQREXKVIOE-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.23
Rot. Bonds7

About 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide

4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 55347552) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID55347552
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17N3O6S/c1-13-4-7-15(22(24)25)11-18(13)21-19(23)14-5-8-17(9-6-14)29(26,27)20-12-16-3-2-10-28-16/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyREAQKQREXKVIOE-UHFFFAOYSA-N
XLogP3.23
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.23
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-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
5-(furan-2-ylmethylsulfamoyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methylbenzamide
CID 46671837
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620231
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118377
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 5147041
2-(furan-2-ylmethyl)-N-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 39753467
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
CID 4849467
4-(furan-2-ylmethylsulfamoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18274021
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide (CID 55347552) is 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is REAQKQREXKVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c1-13-4-7-15(22(24)25)11-18(13)21-19(23)14-5-8-17(9-6-14)29(26,27)20-12-16-3-2-10-28-16/h2-11,20H,12H2,1H3,(H,21,23).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 415.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 55347552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).