4-chloro-3-methylsulfonylbenzohydrazide

C8H9ClN2O3S — CID 43091103

IUPAC4-chloro-3-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1cc(C(=O)NN)ccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)7-4-5(8(12)11-10)2-3-6(7)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyBBNDHHWXOJBSIB-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.35
Rot. Bonds2

About 4-chloro-3-methylsulfonylbenzohydrazide

4-chloro-3-methylsulfonylbenzohydrazide (PubChem CID 43091103) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonylbenzohydrazide
PubChem CID43091103
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name4-chloro-3-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1cc(C(=O)NN)ccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)7-4-5(8(12)11-10)2-3-6(7)9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyBBNDHHWXOJBSIB-UHFFFAOYSA-N
XLogP0.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-4-methylpentanoate
CID 4825679
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonylbenzohydrazide?
The IUPAC name of 4-chloro-3-methylsulfonylbenzohydrazide (CID 43091103) is 4-chloro-3-methylsulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-3-methylsulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-3-methylsulfonylbenzohydrazide is CS(=O)(=O)c1cc(C(=O)NN)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonylbenzohydrazide?
The InChIKey is BBNDHHWXOJBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-15(13,14)7-4-5(8(12)11-10)2-3-6(7)9/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 4-chloro-3-methylsulfonylbenzohydrazide?
4-chloro-3-methylsulfonylbenzohydrazide has a molecular weight of 248.69 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonylbenzohydrazide is sourced from PubChem (CID 43091103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).