2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide

C14H17N3O5S — CID 9208051

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O5S/c1-10-6-7-12(9-13(10)17(19)20)23(21,22)16-15-14(18)8-11-4-2-3-5-11/h2,4,6-7,9,11,16H,3,5,8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyXRRGTVHKVNTOSI-NSHDSACASA-N
MW339.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide

2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (PubChem CID 9208051) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
PubChem CID9208051
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O5S/c1-10-6-7-12(9-13(10)17(19)20)23(21,22)16-15-14(18)8-11-4-2-3-5-11/h2,4,6-7,9,11,16H,3,5,8H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyXRRGTVHKVNTOSI-NSHDSACASA-N
XLogP1.57
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164866
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
N'-[4-(4-methyl-3-nitrophenyl)phenyl]sulfonylacetohydrazide
CID 110454037
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 31011027
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
2-cyclopropyl-2-[(4-methyl-3-nitrophenyl)sulfonylamino]acetic acid
CID 62695957
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
N-(3,3-dimethyl-2-oxobutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64994000
1-ethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 4039653
N-[(3-hydroxycyclopentyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 103270306
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methyl-3-nitrobenzenesulfonamide
CID 107848426

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide (CID 9208051) is 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is XRRGTVHKVNTOSI-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-10-6-7-12(9-13(10)17(19)20)23(21,22)16-15-14(18)8-11-4-2-3-5-11/h2,4,6-7,9,11,16H,3,5,8H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide?
2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 339.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 9208051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).