N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

C25H19ClN4O4S — CID 89026371

IUPACN-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESO=Nc1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C25H19ClN4O4S/c26-22-11-4-5-12-23(22)30-35(32,33)25-16-19(29-31)13-14-24(25)28-27-17-18-7-6-10-21(15-18)34-20-8-2-1-3-9-20/h1-17,28,30H/b27-17+
InChIKeyXOWDRNJGEPGDJO-WPWMEQJKSA-N
MW506.97 g/mol
LogP6.78
Rot. Bonds9

About N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 89026371) has the molecular formula C25H19ClN4O4S and a molecular weight of 506.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID89026371
Molecular FormulaC25H19ClN4O4S
Molecular Weight506.97 g/mol
Exact Mass506.08
IUPAC NameN-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESO=Nc1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C25H19ClN4O4S/c26-22-11-4-5-12-23(22)30-35(32,33)25-16-19(29-31)13-14-24(25)28-27-17-18-7-6-10-21(15-18)34-20-8-2-1-3-9-20/h1-17,28,30H/b27-17+
InChIKeyXOWDRNJGEPGDJO-WPWMEQJKSA-N
XLogP6.78
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.97
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4653257
5-chloro-4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 6247441
5-chloro-4-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790376
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
N-[(E)-(3-bromophenyl)methylideneamino]-2-chloroaniline
CID 19655713
N-(2-methoxyphenyl)-5-nitro-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 3373786
N-(2-methoxyphenyl)-5-nitro-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6044101
N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4029430
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 89026371) is N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is O=Nc1ccc(N/N=C/c2cccc(Oc3ccccc3)c2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is XOWDRNJGEPGDJO-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H19ClN4O4S/c26-22-11-4-5-12-23(22)30-35(32,33)25-16-19(29-31)13-14-24(25)28-27-17-18-7-6-10-21(15-18)34-20-8-2-1-3-9-20/h1-17,28,30H/b27-17+.
What are the key properties of N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide?
N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 506.97 g/mol, XLogP of 6.78, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-nitroso-2-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 89026371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).