(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride

C9H7ClF3NO3S — CID 23281221

IUPAC(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
SMILESCOc1ccc(/C(Cl)=N/S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO3S/c1-17-7-4-2-6(3-5-7)8(10)14-18(15,16)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCRVUZCYQEGVCLR-ZSOIEALJSA-N
MW301.67 g/mol
LogP2.53
Rot. Bonds3

About (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride

(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride (PubChem CID 23281221) has the molecular formula C9H7ClF3NO3S and a molecular weight of 301.67 g/mol. Its IUPAC name is (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
PubChem CID23281221
Molecular FormulaC9H7ClF3NO3S
Molecular Weight301.67 g/mol
Exact Mass300.98
IUPAC Name(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride
SMILESCOc1ccc(/C(Cl)=N/S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H7ClF3NO3S/c1-17-7-4-2-6(3-5-7)8(10)14-18(15,16)9(11,12)13/h2-5H,1H3/b14-8-
InChIKeyCRVUZCYQEGVCLR-ZSOIEALJSA-N
XLogP2.53
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.67
LogP ≤ 52.53
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

4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
N-ethyl-4-methoxybenzenecarboximidoyl chloride
CID 18948655
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1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
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(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949
N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
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CID 172731707
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
4-methoxybenzoic acid;silver
CID 140722019
2-chloro-3,3,3-trifluoro-2-methoxy-1-(4-methoxyphenyl)propan-1-one
CID 101453823
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
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CID 102549721

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride (CID 23281221) is (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride is COc1ccc(/C(Cl)=N/S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
The InChIKey is CRVUZCYQEGVCLR-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7ClF3NO3S/c1-17-7-4-2-6(3-5-7)8(10)14-18(15,16)9(11,12)13/h2-5H,1H3/b14-8-.
What are the key properties of (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride?
(1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride has a molecular weight of 301.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methoxy-N-(trifluoromethylsulfonyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 23281221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).