N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide

C17H13ClN4O4S2 — CID 6088824

IUPACN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccs2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H13ClN4O4S2/c18-14-5-1-2-6-15(14)21-28(25,26)17-10-12(22(23)24)7-8-16(17)20-19-11-13-4-3-9-27-13/h1-11,20-21H/b19-11-
InChIKeyRSILRVTVWCAPPV-ODLFYWEKSA-N
MW436.90 g/mol
LogP4.56
Rot. Bonds7

About N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide

N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide (PubChem CID 6088824) has the molecular formula C17H13ClN4O4S2 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
PubChem CID6088824
Molecular FormulaC17H13ClN4O4S2
Molecular Weight436.90 g/mol
Exact Mass436.01
IUPAC NameN-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccs2)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H13ClN4O4S2/c18-14-5-1-2-6-15(14)21-28(25,26)17-10-12(22(23)24)7-8-16(17)20-19-11-13-4-3-9-27-13/h1-11,20-21H/b19-11-
InChIKeyRSILRVTVWCAPPV-ODLFYWEKSA-N
XLogP4.56
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_B(4)', 'substructure': 'N/A'}, {'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-[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
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972
2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 3349843
N-(2-chlorophenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4039876
2-(2-butan-2-ylidenehydrazinyl)-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3893128
2-[[2-[2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid
CID 4023058
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 6082022
2-[(2Z)-2-benzylidenehydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6037118
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18271748
3-nitro-N-phenyl-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 9060789

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide (CID 6088824) is N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide is O=[N+]([O-])c1ccc(N/N=C\c2cccs2)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is RSILRVTVWCAPPV-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13ClN4O4S2/c18-14-5-1-2-6-15(14)21-28(25,26)17-10-12(22(23)24)7-8-16(17)20-19-11-13-4-3-9-27-13/h1-11,20-21H/b19-11-.
What are the key properties of N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide?
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 436.90 g/mol, XLogP of 4.56, 7 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-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6088824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).