N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide

C24H18ClN5O4S — CID 6082022

IUPACN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccncc2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H18ClN5O4S/c25-20-8-4-5-9-21(20)29-35(33,34)23-16-19(30(31)32)10-11-22(23)27-28-24(17-6-2-1-3-7-17)18-12-14-26-15-13-18/h1-16,27,29H/b28-24-
InChIKeySHSBLBOUYCCBFR-COOPMVRXSA-N
MW507.96 g/mol
LogP5.31
Rot. Bonds8

About N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide

N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 6082022) has the molecular formula C24H18ClN5O4S and a molecular weight of 507.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID6082022
Molecular FormulaC24H18ClN5O4S
Molecular Weight507.96 g/mol
Exact Mass507.08
IUPAC NameN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccncc2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H18ClN5O4S/c25-20-8-4-5-9-21(20)29-35(33,34)23-16-19(30(31)32)10-11-22(23)27-28-24(17-6-2-1-3-7-17)18-12-14-26-15-13-18/h1-16,27,29H/b28-24-
InChIKeySHSBLBOUYCCBFR-COOPMVRXSA-N
XLogP5.31
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.96
LogP ≤ 55.31
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-chlorophenyl)-5-nitro-2-[(2Z)-2-(1-pyridin-3-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6080364
2-(2-butan-2-ylidenehydrazinyl)-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3893128
N-(2-chlorophenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4653257
N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4029430
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6088824
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18271748
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972
N-(benzhydrylideneamino)-2,4-dinitroaniline
CID 139071012
N-(4-chlorophenyl)-5-nitro-2-[2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 4050583
N-(2-chlorophenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4039876
N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide
CID 123361601

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide (CID 6082022) is N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide is O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccncc2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is SHSBLBOUYCCBFR-COOPMVRXSA-N. The full InChI is InChI=1S/C24H18ClN5O4S/c25-20-8-4-5-9-21(20)29-35(33,34)23-16-19(30(31)32)10-11-22(23)27-28-24(17-6-2-1-3-7-17)18-12-14-26-15-13-18/h1-16,27,29H/b28-24-.
What are the key properties of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide?
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 507.96 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6082022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).