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

C19H17N3O6S — CID 17147213

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O6S/c1-13-17(5-2-6-18(13)22(24)25)19(23)21-14-7-9-16(10-8-14)29(26,27)20-12-15-4-3-11-28-15/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyXEOZMWXUNGPVRV-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.23
Rot. Bonds7

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

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide (PubChem CID 17147213) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
PubChem CID17147213
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O6S/c1-13-17(5-2-6-18(13)22(24)25)19(23)21-14-7-9-16(10-8-14)29(26,27)20-12-15-4-3-11-28-15/h2-11,20H,12H2,1H3,(H,21,23)
InChIKeyXEOZMWXUNGPVRV-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-[4-(benzylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 108799454
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
CID 4849467
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17108370
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911419
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-3-nitrobenzamide
CID 1083362
2-fluoro-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 2471000
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide (CID 17147213) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is XEOZMWXUNGPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c1-13-17(5-2-6-18(13)22(24)25)19(23)21-14-7-9-16(10-8-14)29(26,27)20-12-15-4-3-11-28-15/h2-11,20H,12H2,1H3,(H,21,23).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide 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 N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 17147213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).