N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide

C11H14N2O2S — CID 175535624

IUPACN-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)N(N)C2=CCC2)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-5-7-11(8-6-9)16(14,15)13(12)10-3-2-4-10/h3,5-8H,2,4,12H2,1H3
InChIKeyJPCLYDGRIQBPCB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.54
Rot. Bonds3

About N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide

N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide (PubChem CID 175535624) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
PubChem CID175535624
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)N(N)C2=CCC2)cc1
InChIInChI=1S/C11H14N2O2S/c1-9-5-7-11(8-6-9)16(14,15)13(12)10-3-2-4-10/h3,5-8H,2,4,12H2,1H3
InChIKeyJPCLYDGRIQBPCB-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.54
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

4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
CID 174431578
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
N-[3-(cyclopenten-1-yl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 134855796
6-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydropyridin-2-one
CID 132524969

Frequently Asked Questions

What is the IUPAC name of N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide?
The IUPAC name of N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide (CID 175535624) is N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)N(N)C2=CCC2)cc1.
What is the InChIKey of N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide?
The InChIKey is JPCLYDGRIQBPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9-5-7-11(8-6-9)16(14,15)13(12)10-3-2-4-10/h3,5-8H,2,4,12H2,1H3.
What are the key properties of N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide?
N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide has a molecular weight of 238.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 175535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).