2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide

C17H18N4O5S — CID 4091964

IUPAC2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccco1
InChIInChI=1S/C17H18N4O5S/c1-3-9-20(10-4-2)27(24,25)17-12-14(21(22)23)7-8-16(17)19-18-13-15-6-5-11-26-15/h3-8,11-13,19H,1-2,9-10H2
InChIKeyRNVLRKQWKZNIFC-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.00
Rot. Bonds10

About 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide

2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 4091964) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID4091964
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccco1
InChIInChI=1S/C17H18N4O5S/c1-3-9-20(10-4-2)27(24,25)17-12-14(21(22)23)7-8-16(17)19-18-13-15-6-5-11-26-15/h3-8,11-13,19H,1-2,9-10H2
InChIKeyRNVLRKQWKZNIFC-UHFFFAOYSA-N
XLogP3.00
TPSA118.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18224948
2-[(2Z)-2-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylidene]hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 124530050
N,N-diethyl-2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 5176935
N,N-diethyl-2-[(2Z)-2-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 9390947
N,N-diethyl-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4663452
N,N-diethyl-5-nitro-2-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 9060858
N-[4-[(E)-[[2-(diethylsulfamoyl)-4-nitrophenyl]hydrazinylidene]methyl]phenyl]acetamide
CID 42991076
N,N-diethyl-5-nitro-2-[2-[(2,3,4-trihydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4054948
N,N-diethyl-2-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3391598
2-(methylamino)-5-nitro-N,N-dipropylbenzenesulfonamide
CID 62150589
N,N-diethyl-2-[(2Z)-2-[(5-morpholin-4-ylthiophen-2-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 6145031
N-butyl-N-ethyl-2-[2-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 137172506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 4091964) is 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccco1.
What is the InChIKey of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is RNVLRKQWKZNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-3-9-20(10-4-2)27(24,25)17-12-14(21(22)23)7-8-16(17)19-18-13-15-6-5-11-26-15/h3-8,11-13,19H,1-2,9-10H2.
What are the key properties of 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide?
2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylidene)hydrazinyl]-5-nitro-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 4091964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).