2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine

C14H12ClN5O4S — CID 3760612

IUPAC2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C14H12ClN5O4S/c15-13-6-3-11(20(21)22)7-9(13)8-18-10-1-4-12(5-2-10)25(23,24)19-14(16)17/h1-8H,(H4,16,17,19)/b18-8+
InChIKeyRNTMRTYJILJULF-QGMBQPNBSA-N
MW381.80 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine

2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 3760612) has the molecular formula C14H12ClN5O4S and a molecular weight of 381.80 g/mol. Its IUPAC name is 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID3760612
Molecular FormulaC14H12ClN5O4S
Molecular Weight381.80 g/mol
Exact Mass381.03
IUPAC Name2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C14H12ClN5O4S/c15-13-6-3-11(20(21)22)7-9(13)8-18-10-1-4-12(5-2-10)25(23,24)19-14(16)17/h1-8H,(H4,16,17,19)/b18-8+
InChIKeyRNTMRTYJILJULF-QGMBQPNBSA-N
XLogP1.96
TPSA154.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(2-chloro-5-nitrophenyl)methylideneamino]benzonitrile
CID 693503
4-[(2-chloro-5-nitrophenyl)methylideneamino]-N,N-dimethylaniline
CID 126104463
2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
propyl 4-[(2-chloro-5-nitrophenyl)methylideneamino]benzoate
CID 4504807
4-nitro-2-[[4-[4-[(5-nitro-2-oxidophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenolate
CID 7035544
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
2-[4-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfonylguanidine
CID 135858940
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
2-chloro-N,N-diethyl-5-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135596128

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine (CID 3760612) is 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is RNTMRTYJILJULF-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H12ClN5O4S/c15-13-6-3-11(20(21)22)7-9(13)8-18-10-1-4-12(5-2-10)25(23,24)19-14(16)17/h1-8H,(H4,16,17,19)/b18-8+.
What are the key properties of 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine?
2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 381.80 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 3760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).