4-(2-propylsulfonylhydrazinyl)benzoate

C10H13N2O4S- — CID 2440278

IUPAC4-(2-propylsulfonylhydrazinyl)benzoate
SMILESCCCS(=O)(=O)NNc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C10H14N2O4S/c1-2-7-17(15,16)12-11-9-5-3-8(4-6-9)10(13)14/h3-6,11-12H,2,7H2,1H3,(H,13,14)/p-1
InChIKeyVIKKBMKQINKABB-UHFFFAOYSA-M
MW257.29 g/mol
LogP-0.29
Rot. Bonds6

About 4-(2-propylsulfonylhydrazinyl)benzoate

4-(2-propylsulfonylhydrazinyl)benzoate (PubChem CID 2440278) has the molecular formula C10H13N2O4S- and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2-propylsulfonylhydrazinyl)benzoate.

Molecular Properties

Compound Name4-(2-propylsulfonylhydrazinyl)benzoate
PubChem CID2440278
Molecular FormulaC10H13N2O4S-
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC Name4-(2-propylsulfonylhydrazinyl)benzoate
SMILESCCCS(=O)(=O)NNc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C10H14N2O4S/c1-2-7-17(15,16)12-11-9-5-3-8(4-6-9)10(13)14/h3-6,11-12H,2,7H2,1H3,(H,13,14)/p-1
InChIKeyVIKKBMKQINKABB-UHFFFAOYSA-M
XLogP-0.29
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(propylsulfonylamino)benzene-1,3-dicarboxylate
CID 140695291
dilithium;terephthalate
CID 14361651
4-(pentylamino)benzoate
CID 53422656
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
CID 113436723
N-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
CID 43339119
dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
cadmium(2+);bis(4-propylbenzoate)
CID 101299923
4-[(2Z)-2-[1-[4-(propylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoate
CID 9012893
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
CID 43161175

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylsulfonylhydrazinyl)benzoate?
The IUPAC name of 4-(2-propylsulfonylhydrazinyl)benzoate (CID 2440278) is 4-(2-propylsulfonylhydrazinyl)benzoate.
What is the SMILES notation for 4-(2-propylsulfonylhydrazinyl)benzoate?
The canonical SMILES for 4-(2-propylsulfonylhydrazinyl)benzoate is CCCS(=O)(=O)NNc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-(2-propylsulfonylhydrazinyl)benzoate?
The InChIKey is VIKKBMKQINKABB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O4S/c1-2-7-17(15,16)12-11-9-5-3-8(4-6-9)10(13)14/h3-6,11-12H,2,7H2,1H3,(H,13,14)/p-1.
What are the key properties of 4-(2-propylsulfonylhydrazinyl)benzoate?
4-(2-propylsulfonylhydrazinyl)benzoate has a molecular weight of 257.29 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylsulfonylhydrazinyl)benzoate is sourced from PubChem (CID 2440278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).