4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride

C9H10Cl2N2O2S — CID 139650046

IUPAC4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride
SMILESCN(N=C(Cl)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C9H10Cl2N2O2S/c1-13(16(2,14)15)12-9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyIWKFPMRUXXWHID-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.13
Rot. Bonds3

About 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride

4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride (PubChem CID 139650046) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride
PubChem CID139650046
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Name4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride
SMILESCN(N=C(Cl)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C9H10Cl2N2O2S/c1-13(16(2,14)15)12-9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKeyIWKFPMRUXXWHID-UHFFFAOYSA-N
XLogP2.13
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-chloro-N-(dimethylamino-methyl-oxo-λ6-sulfanylidene)benzenesulfonamide
CID 134992604
dimethylamino 4-chlorobenzoate
CID 134848983
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
[2-(4-chlorophenyl)-2-oxoethyl] methanesulfonate
CID 71560088
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 82113368
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624
4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride
CID 885300
[4-[N-[acetyl(methylsulfonyl)amino]-C-(4-chlorophenyl)carbonimidoyl]phenyl] trifluoromethanesulfonate
CID 139763669
2-bromo-2-chloro-1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 102549670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride?
The IUPAC name of 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride (CID 139650046) is 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride is CN(N=C(Cl)c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride?
The InChIKey is IWKFPMRUXXWHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c1-13(16(2,14)15)12-9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride?
4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride has a molecular weight of 281.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-methylsulfonylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 139650046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).