N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide

C9H11ClFN3O2S — CID 13045544

IUPACN'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C9H11ClFN3O2S/c1-14(2)5-13-17(15,16)9-4-8(12)7(11)3-6(9)10/h3-5H,12H2,1-2H3/b13-5+
InChIKeyWHFMFMZQFCRPFE-WLRTZDKTSA-N
MW279.72 g/mol
LogP1.34
Rot. Bonds3

About N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 13045544) has the molecular formula C9H11ClFN3O2S and a molecular weight of 279.72 g/mol. Its IUPAC name is N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID13045544
Molecular FormulaC9H11ClFN3O2S
Molecular Weight279.72 g/mol
Exact Mass279.02
IUPAC NameN'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C9H11ClFN3O2S/c1-14(2)5-13-17(15,16)9-4-8(12)7(11)3-6(9)10/h3-5H,12H2,1-2H3/b13-5+
InChIKeyWHFMFMZQFCRPFE-WLRTZDKTSA-N
XLogP1.34
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 13045544) is N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)/C=N/S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is WHFMFMZQFCRPFE-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H11ClFN3O2S/c1-14(2)5-13-17(15,16)9-4-8(12)7(11)3-6(9)10/h3-5H,12H2,1-2H3/b13-5+.
What are the key properties of N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 279.72 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13045544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).