(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride

C10H11ClN2O3S — CID 22909153

IUPAC(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)/C(Cl)=N/Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H11ClN2O3S/c1-7(14)10(11)13-12-8-3-5-9(6-4-8)17(2,15)16/h3-6,12H,1-2H3/b13-10-
InChIKeyUKQQKSWDFMMAIY-RAXLEYEMSA-N
MW274.73 g/mol
LogP1.64
Rot. Bonds4

About (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride

(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride (PubChem CID 22909153) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride
PubChem CID22909153
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride
SMILESCC(=O)/C(Cl)=N/Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H11ClN2O3S/c1-7(14)10(11)13-12-8-3-5-9(6-4-8)17(2,15)16/h3-6,12H,1-2H3/b13-10-
InChIKeyUKQQKSWDFMMAIY-RAXLEYEMSA-N
XLogP1.64
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
(1Z)-N-(3-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
CID 22909163
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
CID 43328952
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
N-fluoro-4-methylsulfonylaniline
CID 87383666
3-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]propanamide
CID 43146371
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
CID 127049240
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 76845780

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride?
The IUPAC name of (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride (CID 22909153) is (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride.
What is the SMILES notation for (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride?
The canonical SMILES for (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride is CC(=O)/C(Cl)=N/Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride?
The InChIKey is UKQQKSWDFMMAIY-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c1-7(14)10(11)13-12-8-3-5-9(6-4-8)17(2,15)16/h3-6,12H,1-2H3/b13-10-.
What are the key properties of (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride?
(1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride has a molecular weight of 274.73 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(4-methylsulfonylphenyl)-2-oxopropanehydrazonoyl chloride is sourced from PubChem (CID 22909153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).