N'-butylsulfonyl-2-methylbenzenesulfonohydrazide

C11H18N2O4S2 — CID 67845686

IUPACN'-butylsulfonyl-2-methylbenzenesulfonohydrazide
SMILESCCCCS(=O)(=O)NNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H18N2O4S2/c1-3-4-9-18(14,15)12-13-19(16,17)11-8-6-5-7-10(11)2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyTVECYBDUQWPDQR-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.91
Rot. Bonds7

About N'-butylsulfonyl-2-methylbenzenesulfonohydrazide

N'-butylsulfonyl-2-methylbenzenesulfonohydrazide (PubChem CID 67845686) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-butylsulfonyl-2-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-butylsulfonyl-2-methylbenzenesulfonohydrazide
PubChem CID67845686
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN'-butylsulfonyl-2-methylbenzenesulfonohydrazide
SMILESCCCCS(=O)(=O)NNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H18N2O4S2/c1-3-4-9-18(14,15)12-13-19(16,17)11-8-6-5-7-10(11)2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyTVECYBDUQWPDQR-UHFFFAOYSA-N
XLogP0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
2-[(2-methylphenyl)sulfonylamino]-N,N-dipropylacetamide
CID 112995821
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
N'-hexylsulfonyl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonohydrazide
CID 167865426
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036

Frequently Asked Questions

What is the IUPAC name of N'-butylsulfonyl-2-methylbenzenesulfonohydrazide?
The IUPAC name of N'-butylsulfonyl-2-methylbenzenesulfonohydrazide (CID 67845686) is N'-butylsulfonyl-2-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-butylsulfonyl-2-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-butylsulfonyl-2-methylbenzenesulfonohydrazide is CCCCS(=O)(=O)NNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N'-butylsulfonyl-2-methylbenzenesulfonohydrazide?
The InChIKey is TVECYBDUQWPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-3-4-9-18(14,15)12-13-19(16,17)11-8-6-5-7-10(11)2/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of N'-butylsulfonyl-2-methylbenzenesulfonohydrazide?
N'-butylsulfonyl-2-methylbenzenesulfonohydrazide has a molecular weight of 306.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylsulfonyl-2-methylbenzenesulfonohydrazide is sourced from PubChem (CID 67845686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).