N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide

C14H20N2O5S2 — CID 8842017

IUPACN'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H20N2O5S2/c1-10-3-4-13(7-11(10)2)23(20,21)16-15-14(17)8-12-5-6-22(18,19)9-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyILMOELZFXDNYNU-LBPRGKRZSA-N
MW360.46 g/mol
LogP0.44
Rot. Bonds5

About N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide

N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (PubChem CID 8842017) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
PubChem CID8842017
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C14H20N2O5S2/c1-10-3-4-13(7-11(10)2)23(20,21)16-15-14(17)8-12-5-6-22(18,19)9-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyILMOELZFXDNYNU-LBPRGKRZSA-N
XLogP0.44
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.44
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

2-[(3R)-1,1-dioxothiolan-3-yl]-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 7223056
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8842048
N-cyclopropyl-4-[[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]sulfamoyl]benzenesulfonamide
CID 42949070
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842054
2-(1,1-dioxothiolan-3-yl)-N'-[4-(3-methylbutyl)phenyl]sulfonylacetohydrazide
CID 55428858
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
N'-(2-chlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842103
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842075
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2,3,5,6-tetramethylphenyl)sulfonylacetamide
CID 95305897
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
N-(5-bromo-2-methylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 43806574

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The IUPAC name of N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (CID 8842017) is N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The canonical SMILES for N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The InChIKey is ILMOELZFXDNYNU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-10-3-4-13(7-11(10)2)23(20,21)16-15-14(17)8-12-5-6-22(18,19)9-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide has a molecular weight of 360.46 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is sourced from PubChem (CID 8842017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).