N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

C19H14ClFN4O4S — CID 4029430

IUPACN-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccccc2F)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4O4S/c20-15-6-2-4-8-17(15)24-30(28,29)19-11-14(25(26)27)9-10-18(19)23-22-12-13-5-1-3-7-16(13)21/h1-12,23-24H
InChIKeyJONWVFUUDJOFSC-UHFFFAOYSA-N
MW448.86 g/mol
LogP4.63
Rot. Bonds7

About N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 4029430) has the molecular formula C19H14ClFN4O4S and a molecular weight of 448.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID4029430
Molecular FormulaC19H14ClFN4O4S
Molecular Weight448.86 g/mol
Exact Mass448.04
IUPAC NameN-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccccc2F)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H14ClFN4O4S/c20-15-6-2-4-8-17(15)24-30(28,29)19-11-14(25(26)27)9-10-18(19)23-22-12-13-5-1-3-7-16(13)21/h1-12,23-24H
InChIKeyJONWVFUUDJOFSC-UHFFFAOYSA-N
XLogP4.63
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
N-(2-chlorophenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4653257
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6088824
2-[[2-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
CID 4023058
2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 3349843
N-(2-chlorophenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4039876
2-(2-butan-2-ylidenehydrazinyl)-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3893128
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18271748
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 6082022
2-chloro-N-[(2-fluorophenyl)methylideneamino]aniline
CID 3753307
2-[(2Z)-2-benzylidenehydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6037118

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide (CID 4029430) is N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(NN=Cc2ccccc2F)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is JONWVFUUDJOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O4S/c20-15-6-2-4-8-17(15)24-30(28,29)19-11-14(25(26)27)9-10-18(19)23-22-12-13-5-1-3-7-16(13)21/h1-12,23-24H.
What are the key properties of N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 448.86 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 4029430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).