N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide

C18H22N4O5S — CID 9060745

IUPACN-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
SMILESCCC/C(C)=N\Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O5S/c1-4-7-13(2)19-20-15-11-10-14(12-17(15)22(23)24)28(25,26)21-16-8-5-6-9-18(16)27-3/h5-6,8-12,20-21H,4,7H2,1-3H3/b19-13-
InChIKeyKNLFMWSUGDRTOK-UYRXBGFRSA-N
MW406.46 g/mol
LogP3.99
Rot. Bonds9

About N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide

N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide (PubChem CID 9060745) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
PubChem CID9060745
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide
SMILESCCC/C(C)=N\Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O5S/c1-4-7-13(2)19-20-15-11-10-14(12-17(15)22(23)24)28(25,26)21-16-8-5-6-9-18(16)27-3/h5-6,8-12,20-21H,4,7H2,1-3H3/b19-13-
InChIKeyKNLFMWSUGDRTOK-UYRXBGFRSA-N
XLogP3.99
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.99
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

N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
N-(2-methoxyphenyl)-3-nitro-4-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 97058149
4-(2-cycloheptylidenehydrazinyl)-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3322676
4-[(2E)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135607771
4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135679677
N-(2-methoxyphenyl)-4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5221183
N-(2-methoxyphenyl)-4-[2-[(2-methylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4121073
4-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135683885
4-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6010511
4-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6281117
N-(2-methoxyphenyl)-4-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135851258
4-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3502448

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide (CID 9060745) is N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide is CCC/C(C)=N\Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide?
The InChIKey is KNLFMWSUGDRTOK-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-4-7-13(2)19-20-15-11-10-14(12-17(15)22(23)24)28(25,26)21-16-8-5-6-9-18(16)27-3/h5-6,8-12,20-21H,4,7H2,1-3H3/b19-13-.
What are the key properties of N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide?
N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-nitro-4-[(2Z)-2-pentan-2-ylidenehydrazinyl]benzenesulfonamide is sourced from PubChem (CID 9060745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).