N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide

C14H20N2O3S — CID 135042438

IUPACN-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide
SMILESC/C=C/C(C)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-5-6-12(3)15-16(13(4)17)20(18,19)14-9-7-11(2)8-10-14/h5-10,12,15H,1-4H3/b6-5+
InChIKeyBWPQZVPSJRRZGO-AATRIKPKSA-N
MW296.39 g/mol
LogP2.00
Rot. Bonds5

About N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide

N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide (PubChem CID 135042438) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide
PubChem CID135042438
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide
SMILESC/C=C/C(C)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3S/c1-5-6-12(3)15-16(13(4)17)20(18,19)14-9-7-11(2)8-10-14/h5-10,12,15H,1-4H3/b6-5+
InChIKeyBWPQZVPSJRRZGO-AATRIKPKSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)sulfonyl]tetrahydro-3H-pyrazol-3-one
CID 1487856
p-Toluenesulfonamide, N-sec-butyl-
CID 211876
2-cyano-N'-[(4-methylphenyl)sulfonyl]acetohydrazide
CID 5035758
5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one
CID 11834379
N-((4-Methylphenyl)sulfonyl)acetamide
CID 286222
Pcmd-CC-mcm-23
CID 11834388
Hexanamide, 6-[[(4-methylphenyl)sulfonyl]amino]-
CID 2447482
4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 3819694
N-(2-aminopropyl)-4-methylbenzenesulfonamide
CID 16481884
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 562881
(S)-N-2-aminopropyl-4-methylbenzenesulfonamide
CID 10857214
(E)-N'-methyl-N'-(4-methylphenyl)sulfonyl-3-phenylprop-2-enehydrazide
CID 13634917

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide (CID 135042438) is N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide is C/C=C/C(C)NN(C(C)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide?
The InChIKey is BWPQZVPSJRRZGO-AATRIKPKSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-6-12(3)15-16(13(4)17)20(18,19)14-9-7-11(2)8-10-14/h5-10,12,15H,1-4H3/b6-5+.
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide?
N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide has a molecular weight of 296.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide is sourced from PubChem (CID 135042438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).