N-(2,5-dimethylphenyl)methanesulfonohydrazide

C9H14N2O2S — CID 82284532

IUPACN-(2,5-dimethylphenyl)methanesulfonohydrazide
SMILESCc1ccc(C)c(N(N)S(C)(=O)=O)c1
InChIInChI=1S/C9H14N2O2S/c1-7-4-5-8(2)9(6-7)11(10)14(3,12)13/h4-6H,10H2,1-3H3
InChIKeyUXMNFYIUKGJFSR-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.94
Rot. Bonds2

About N-(2,5-dimethylphenyl)methanesulfonohydrazide

N-(2,5-dimethylphenyl)methanesulfonohydrazide (PubChem CID 82284532) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)methanesulfonohydrazide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)methanesulfonohydrazide
PubChem CID82284532
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(2,5-dimethylphenyl)methanesulfonohydrazide
SMILESCc1ccc(C)c(N(N)S(C)(=O)=O)c1
InChIInChI=1S/C9H14N2O2S/c1-7-4-5-8(2)9(6-7)11(10)14(3,12)13/h4-6H,10H2,1-3H3
InChIKeyUXMNFYIUKGJFSR-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189
1-amino-1-(2,5-dimethylphenyl)thiourea
CID 20847893
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
CID 164803656
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
N-(4-bromo-3-methylphenyl)methanesulfonohydrazide
CID 82307190
ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1085929
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068888
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 92676378
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)methanesulfonohydrazide?
The IUPAC name of N-(2,5-dimethylphenyl)methanesulfonohydrazide (CID 82284532) is N-(2,5-dimethylphenyl)methanesulfonohydrazide.
What is the SMILES notation for N-(2,5-dimethylphenyl)methanesulfonohydrazide?
The canonical SMILES for N-(2,5-dimethylphenyl)methanesulfonohydrazide is Cc1ccc(C)c(N(N)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)methanesulfonohydrazide?
The InChIKey is UXMNFYIUKGJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-4-5-8(2)9(6-7)11(10)14(3,12)13/h4-6H,10H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)methanesulfonohydrazide?
N-(2,5-dimethylphenyl)methanesulfonohydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)methanesulfonohydrazide is sourced from PubChem (CID 82284532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).