[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine

C9H7Cl2N3O4S — CID 173426152

IUPAC[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine
SMILESNN=C(C=S(=O)=O)C(Cl)(Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2N3O4S/c10-9(11,8(13-12)5-19(17)18)6-3-1-2-4-7(6)14(15)16/h1-5H,12H2
InChIKeyCXGHFUZQCSLMJK-UHFFFAOYSA-N
MW324.15 g/mol
LogP1.22
Rot. Bonds4

About [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine

[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine (PubChem CID 173426152) has the molecular formula C9H7Cl2N3O4S and a molecular weight of 324.15 g/mol. Its IUPAC name is [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine.

Molecular Properties

Compound Name[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine
PubChem CID173426152
Molecular FormulaC9H7Cl2N3O4S
Molecular Weight324.15 g/mol
Exact Mass322.95
IUPAC Name[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine
SMILESNN=C(C=S(=O)=O)C(Cl)(Cl)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H7Cl2N3O4S/c10-9(11,8(13-12)5-19(17)18)6-3-1-2-4-7(6)14(15)16/h1-5H,12H2
InChIKeyCXGHFUZQCSLMJK-UHFFFAOYSA-N
XLogP1.22
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

3,3-dichloro-3-(2-nitrophenyl)propanoic acid
CID 142639886
1-amino-2-(2-nitrophenyl)propan-2-ol
CID 56635721
1-tert-butyl-2-nitrobenzene;nitrous acid
CID 175422858
(2-nitrophenyl)methanetricarboxylic acid
CID 140983410
[1-chloro-1-(2-nitrophenyl)ethyl] formate
CID 54069699
(E)-1,1-bis(2-nitrophenyl)but-2-ene-1,4-diamine
CID 154942548
1-[(R)-chloromethylsulfinyl]-2-nitrobenzene
CID 139084527
methyl (2S)-2-amino-2-(2-nitrophenyl)propanoate
CID 175893615
1,1-difluoro-2-(2-nitrophenyl)propan-2-ol
CID 80605364
1-nitro-2-(2-nitropropan-2-yl)benzene
CID 87409221
2-[(2-nitrophenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 156700464
1-nitro-2-(selanylidene-λ4-selanyl)benzene
CID 150274158

Frequently Asked Questions

What is the IUPAC name of [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine?
The IUPAC name of [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine (CID 173426152) is [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine.
What is the SMILES notation for [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine?
The canonical SMILES for [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine is NN=C(C=S(=O)=O)C(Cl)(Cl)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine?
The InChIKey is CXGHFUZQCSLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O4S/c10-9(11,8(13-12)5-19(17)18)6-3-1-2-4-7(6)14(15)16/h1-5H,12H2.
What are the key properties of [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine?
[1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine has a molecular weight of 324.15 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dichloro-1-(2-nitrophenyl)-3-sulfonylpropan-2-ylidene]hydrazine is sourced from PubChem (CID 173426152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).