N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C14H11Cl3N4O5S — CID 50895365

IUPACN-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11Cl3N4O5S/c15-8-5-10(17)12(6-9(8)16)20(7-14(22)19-18)27(25,26)13-4-2-1-3-11(13)21(23)24/h1-6H,7,18H2,(H,19,22)
InChIKeyUHHLLDFXATXLDA-UHFFFAOYSA-N
MW453.69 g/mol
LogP2.74
Rot. Bonds6

About N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 50895365) has the molecular formula C14H11Cl3N4O5S and a molecular weight of 453.69 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID50895365
Molecular FormulaC14H11Cl3N4O5S
Molecular Weight453.69 g/mol
Exact Mass451.95
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11Cl3N4O5S/c15-8-5-10(17)12(6-9(8)16)20(7-14(22)19-18)27(25,26)13-4-2-1-3-11(13)21(23)24/h1-6H,7,18H2,(H,19,22)
InChIKeyUHHLLDFXATXLDA-UHFFFAOYSA-N
XLogP2.74
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(2,4-difluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-nitrobenzenesulfonamide
CID 50892892
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940
ethyl 2-(2-chloro-5-nitro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50894192
N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 50895823
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
2-[carboxymethyl-(2-nitrophenyl)sulfonylamino]benzoic acid
CID 50894406
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773
ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890076

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 50895365) is N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is NNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is UHHLLDFXATXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N4O5S/c15-8-5-10(17)12(6-9(8)16)20(7-14(22)19-18)27(25,26)13-4-2-1-3-11(13)21(23)24/h1-6H,7,18H2,(H,19,22).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 453.69 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 50895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).