4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

C20H24N4O5S — CID 3322676

IUPAC4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5S/c1-29-20-11-7-6-10-18(20)23-30(27,28)16-12-13-17(19(14-16)24(25)26)22-21-15-8-4-2-3-5-9-15/h6-7,10-14,22-23H,2-5,8-9H2,1H3
InChIKeyFXTUPFKNAWMDQG-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.53
Rot. Bonds7

About 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 3322676) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID3322676
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5S/c1-29-20-11-7-6-10-18(20)23-30(27,28)16-12-13-17(19(14-16)24(25)26)22-21-15-8-4-2-3-5-9-15/h6-7,10-14,22-23H,2-5,8-9H2,1H3
InChIKeyFXTUPFKNAWMDQG-UHFFFAOYSA-N
XLogP4.53
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.53
H-Bond Donors ≤ 52
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-(2-cyclohexylidenehydrazinyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4627079
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
N-(2-methoxyphenyl)-4-[2-[(2-methylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4121073
N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
CID 9060745
N-(2-methoxyphenyl)-4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5221183
N-(2-methoxyphenyl)-4-[(2E)-2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 42995023
N-(2-methoxyphenyl)-3-nitro-4-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 97058149
4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6010511
4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135679677
4-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6281117
4-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3502448
4-[(2E)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 16959853

Frequently Asked Questions

What is the IUPAC name of 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (CID 3322676) is 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is FXTUPFKNAWMDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-29-20-11-7-6-10-18(20)23-30(27,28)16-12-13-17(19(14-16)24(25)26)22-21-15-8-4-2-3-5-9-15/h6-7,10-14,22-23H,2-5,8-9H2,1H3.
What are the key properties of 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3322676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).