3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide

C14H14N4O4S — CID 6116556

IUPAC3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
SMILESC/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H14N4O4S/c1-10(11-5-3-2-4-6-11)16-17-13-8-7-12(23(15,21)22)9-14(13)18(19)20/h2-9,17H,1H3,(H2,15,21,22)/b16-10-
InChIKeyPLJXOKQYRWDMAL-YBEGLDIGSA-N
MW334.36 g/mol
LogP2.08
Rot. Bonds5

About 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide

3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide (PubChem CID 6116556) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
PubChem CID6116556
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
SMILESC/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H14N4O4S/c1-10(11-5-3-2-4-6-11)16-17-13-8-7-12(23(15,21)22)9-14(13)18(19)20/h2-9,17H,1H3,(H2,15,21,22)/b16-10-
InChIKeyPLJXOKQYRWDMAL-YBEGLDIGSA-N
XLogP2.08
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.08
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

4-[(2Z)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6305098
4-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5219545
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
4-[2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3282087
3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 6073544
3-nitro-4-[(2Z)-2-[1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylidene]hydrazinyl]benzenesulfonamide
CID 6217521
4-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
CID 3543009
4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 6269703
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704
3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
CID 4213046

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide (CID 6116556) is 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide is C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is PLJXOKQYRWDMAL-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-10(11-5-3-2-4-6-11)16-17-13-8-7-12(23(15,21)22)9-14(13)18(19)20/h2-9,17H,1H3,(H2,15,21,22)/b16-10-.
What are the key properties of 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide?
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 334.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6116556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).