N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide

C13H10ClN3O4S — CID 5414600

IUPACN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N\NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H10ClN3O4S/c14-13-7-6-11(17(18)19)8-10(13)9-15-16-22(20,21)12-4-2-1-3-5-12/h1-9,16H/b15-9-
InChIKeyXVIQPAAZINTJPR-DHDCSXOGSA-N
MW339.76 g/mol
LogP2.56
Rot. Bonds5

About N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5414600) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID5414600
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC NameN-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N\NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H10ClN3O4S/c14-13-7-6-11(17(18)19)8-10(13)9-15-16-22(20,21)12-4-2-1-3-5-12/h1-9,16H/b15-9-
InChIKeyXVIQPAAZINTJPR-DHDCSXOGSA-N
XLogP2.56
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate
CID 6895990
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
4-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]methanamine
CID 94841683
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide (CID 5414600) is N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(/C=N\NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is XVIQPAAZINTJPR-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c14-13-7-6-11(17(18)19)8-10(13)9-15-16-22(20,21)12-4-2-1-3-5-12/h1-9,16H/b15-9-.
What are the key properties of N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide?
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 339.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5414600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).