N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C21H24ClN5O6S — CID 5111910

IUPACN-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H24ClN5O6S/c22-15-7-4-8-16(11-15)26-34(32,33)17-9-10-18(19(12-17)27(30)31)24-25-20(28)13-23-21(29)14-5-2-1-3-6-14/h4,7-12,14,24,26H,1-3,5-6,13H2,(H,23,29)(H,25,28)
InChIKeyIVAWDPNJEMRKJZ-UHFFFAOYSA-N
MW509.97 g/mol
LogP3.19
Rot. Bonds9

About N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 5111910) has the molecular formula C21H24ClN5O6S and a molecular weight of 509.97 g/mol. Its IUPAC name is N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID5111910
Molecular FormulaC21H24ClN5O6S
Molecular Weight509.97 g/mol
Exact Mass509.11
IUPAC NameN-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C21H24ClN5O6S/c22-15-7-4-8-16(11-15)26-34(32,33)17-9-10-18(19(12-17)27(30)31)24-25-20(28)13-23-21(29)14-5-2-1-3-6-14/h4,7-12,14,24,26H,1-3,5-6,13H2,(H,23,29)(H,25,28)
InChIKeyIVAWDPNJEMRKJZ-UHFFFAOYSA-N
XLogP3.19
TPSA159.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5110734
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-(3-chlorophenyl)-4-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135947861
N-(3-chlorophenyl)-4-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3940614
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925375
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
4-(2-benzylidenehydrazinyl)-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 5237290
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-(3-chlorophenyl)-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679526
2-[4-[(Z)-N-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-C-methylcarbonimidoyl]phenoxy]-N,N-diethylacetamide
CID 6216499
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 5111910) is N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is IVAWDPNJEMRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O6S/c22-15-7-4-8-16(11-15)26-34(32,33)17-9-10-18(19(12-17)27(30)31)24-25-20(28)13-23-21(29)14-5-2-1-3-6-14/h4,7-12,14,24,26H,1-3,5-6,13H2,(H,23,29)(H,25,28).
What are the key properties of N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 509.97 g/mol, XLogP of 3.19, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 5111910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).