N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide

C19H21ClN4O4S — CID 18271748

IUPACN-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN4O4S/c1-13-6-8-14(9-7-13)21-22-18-11-10-15(24(25)26)12-19(18)29(27,28)23-17-5-3-2-4-16(17)20/h2-5,10-13,22-23H,6-9H2,1H3/b21-14-
InChIKeyNYSVZADAXJBYOH-STZFKDTASA-N
MW436.92 g/mol
LogP5.03
Rot. Bonds6

About N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide

N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 18271748) has the molecular formula C19H21ClN4O4S and a molecular weight of 436.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID18271748
Molecular FormulaC19H21ClN4O4S
Molecular Weight436.92 g/mol
Exact Mass436.10
IUPAC NameN-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN4O4S/c1-13-6-8-14(9-7-13)21-22-18-11-10-15(24(25)26)12-19(18)29(27,28)23-17-5-3-2-4-16(17)20/h2-5,10-13,22-23H,6-9H2,1H3/b21-14-
InChIKeyNYSVZADAXJBYOH-STZFKDTASA-N
XLogP5.03
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.03
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

N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18289331
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
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
2-(2-cyclopentylidenehydrazinyl)-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 7939242
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 6082022
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(1-pyridin-3-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6080364
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6088824
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972
N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide
CID 123361601
2-[2-(2-adamantylidene)hydrazinyl]-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3901320

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide (CID 18271748) is N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide is CC1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is NYSVZADAXJBYOH-STZFKDTASA-N. The full InChI is InChI=1S/C19H21ClN4O4S/c1-13-6-8-14(9-7-13)21-22-18-11-10-15(24(25)26)12-19(18)29(27,28)23-17-5-3-2-4-16(17)20/h2-5,10-13,22-23H,6-9H2,1H3/b21-14-.
What are the key properties of N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 436.92 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 18271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).