N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride

C9H9ClN2O3S — CID 57088982

IUPACN-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
SMILESCc1ccc(S(=O)(=O)NN=C(Cl)C=O)cc1
InChIInChI=1S/C9H9ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-9(10)6-13/h2-6,12H,1H3
InChIKeyCNLGONMXQOHOOC-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.02
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride

N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride (PubChem CID 57088982) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
PubChem CID57088982
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC NameN-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
SMILESCc1ccc(S(=O)(=O)NN=C(Cl)C=O)cc1
InChIInChI=1S/C9H9ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-9(10)6-13/h2-6,12H,1H3
InChIKeyCNLGONMXQOHOOC-UHFFFAOYSA-N
XLogP1.02
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
CID 170607858
N-[1-(1-adamantyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 561246
N-[(E)-1,1-dichlorobutan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 11278280
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(Z)-[5,5,5-trifluoro-4-(trifluoromethyl)pent-3-en-2-ylidene]amino]benzenesulfonamide
CID 10926847
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-(2,2-dimethylpentan-3-ylideneamino)-4-methylbenzenesulfonamide
CID 165343830
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride (CID 57088982) is N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride is Cc1ccc(S(=O)(=O)NN=C(Cl)C=O)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride?
The InChIKey is CNLGONMXQOHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c1-7-2-4-8(5-3-7)16(14,15)12-11-9(10)6-13/h2-6,12H,1H3.
What are the key properties of N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride?
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride has a molecular weight of 260.70 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride is sourced from PubChem (CID 57088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).