4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide

C15H12N4O6S — CID 5385147

IUPAC4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6S/c20-18(21)13-7-9-14(10-8-13)26(24,25)17-16-11-3-5-12-4-1-2-6-15(12)19(22)23/h1-11,17H/b5-3+,16-11-
InChIKeyHVQDQWUZCUOXAF-NFGZENQUSA-N
MW376.35 g/mol
LogP2.48
Rot. Bonds7

About 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide

4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide (PubChem CID 5385147) has the molecular formula C15H12N4O6S and a molecular weight of 376.35 g/mol. Its IUPAC name is 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
PubChem CID5385147
Molecular FormulaC15H12N4O6S
Molecular Weight376.35 g/mol
Exact Mass376.05
IUPAC Name4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6S/c20-18(21)13-7-9-14(10-8-13)26(24,25)17-16-11-3-5-12-4-1-2-6-15(12)19(22)23/h1-11,17H/b5-3+,16-11-
InChIKeyHVQDQWUZCUOXAF-NFGZENQUSA-N
XLogP2.48
TPSA144.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethoxy-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide
CID 2344988
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
4-tert-butyl-N-[(2-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1325154
2,3,4,5,6-pentafluoro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
CID 9466475
4-[(4-bromophenyl)sulfonylamino]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzamide
CID 6113236
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
4-[(2S)-butan-2-yl]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
CID 27519609
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(trifluoromethyl)aniline
CID 6892921
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 46498198
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide (CID 5385147) is 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide?
The InChIKey is HVQDQWUZCUOXAF-NFGZENQUSA-N. The full InChI is InChI=1S/C15H12N4O6S/c20-18(21)13-7-9-14(10-8-13)26(24,25)17-16-11-3-5-12-4-1-2-6-15(12)19(22)23/h1-11,17H/b5-3+,16-11-.
What are the key properties of 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide?
4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide has a molecular weight of 376.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzenesulfonamide is sourced from PubChem (CID 5385147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).