N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide

C24H18N4O5S — CID 69461038

IUPACN-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H18N4O5S/c29-24(19-7-12-22(13-8-19)28(30)31)26-21-10-5-17(6-11-21)16-25-27-34(32,33)23-14-9-18-3-1-2-4-20(18)15-23/h1-16,27H,(H,26,29)
InChIKeyLBLJVWMSPCAAHX-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide

N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide (PubChem CID 69461038) has the molecular formula C24H18N4O5S and a molecular weight of 474.50 g/mol. Its IUPAC name is N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
PubChem CID69461038
Molecular FormulaC24H18N4O5S
Molecular Weight474.50 g/mol
Exact Mass474.10
IUPAC NameN-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H18N4O5S/c29-24(19-7-12-22(13-8-19)28(30)31)26-21-10-5-17(6-11-21)16-25-27-34(32,33)23-14-9-18-3-1-2-4-20(18)15-23/h1-16,27H,(H,26,29)
InChIKeyLBLJVWMSPCAAHX-UHFFFAOYSA-N
XLogP4.31
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.31
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

3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide
CID 69458221
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
N-[(4-hydroxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 3881304
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517273
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N-[3-(naphthalen-2-ylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1336158
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963

Frequently Asked Questions

What is the IUPAC name of N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide (CID 69461038) is N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide is O=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide?
The InChIKey is LBLJVWMSPCAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S/c29-24(19-7-12-22(13-8-19)28(30)31)26-21-10-5-17(6-11-21)16-25-27-34(32,33)23-14-9-18-3-1-2-4-20(18)15-23/h1-16,27H,(H,26,29).
What are the key properties of N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide?
N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide has a molecular weight of 474.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 69461038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).