(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride

C9H11ClN2O2S — CID 12773541

IUPAC(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride
SMILESCN(C)c1ccc(/C=N/S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c1-12(2)9-5-3-8(4-6-9)7-11-15(10,13)14/h3-7H,1-2H3/b11-7+
InChIKeyPTXCEXMJMVJCQI-YRNVUSSQSA-N
MW246.72 g/mol
LogP1.66
Rot. Bonds3

About (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride

(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride (PubChem CID 12773541) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride.

Molecular Properties

Compound Name(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride
PubChem CID12773541
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride
SMILESCN(C)c1ccc(/C=N/S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c1-12(2)9-5-3-8(4-6-9)7-11-15(10,13)14/h3-7H,1-2H3/b11-7+
InChIKeyPTXCEXMJMVJCQI-YRNVUSSQSA-N
XLogP1.66
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
CID 10617583
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
CID 102273448
CID 102273448
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate
CID 124926749
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride?
The IUPAC name of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride (CID 12773541) is (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride.
What is the SMILES notation for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride?
The canonical SMILES for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride is CN(C)c1ccc(/C=N/S(=O)(=O)Cl)cc1.
What is the InChIKey of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride?
The InChIKey is PTXCEXMJMVJCQI-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-12(2)9-5-3-8(4-6-9)7-11-15(10,13)14/h3-7H,1-2H3/b11-7+.
What are the key properties of (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride?
(NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride has a molecular weight of 246.72 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(dimethylamino)phenyl]methylidene]sulfamoyl chloride is sourced from PubChem (CID 12773541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).