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

C12H14Cl2N2O5S2 — CID 8842075

IUPACN'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O5S2/c13-9-2-1-3-10(12(9)14)23(20,21)16-15-11(17)6-8-4-5-22(18,19)7-8/h1-3,8,16H,4-7H2,(H,15,17)/t8-/m0/s1
InChIKeyDDYHCDOAXHIUFJ-QMMMGPOBSA-N
MW401.29 g/mol
LogP1.13
Rot. Bonds5

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

N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (PubChem CID 8842075) has the molecular formula C12H14Cl2N2O5S2 and a molecular weight of 401.29 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
PubChem CID8842075
Molecular FormulaC12H14Cl2N2O5S2
Molecular Weight401.29 g/mol
Exact Mass399.97
IUPAC NameN'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O5S2/c13-9-2-1-3-10(12(9)14)23(20,21)16-15-11(17)6-8-4-5-22(18,19)7-8/h1-3,8,16H,4-7H2,(H,15,17)/t8-/m0/s1
InChIKeyDDYHCDOAXHIUFJ-QMMMGPOBSA-N
XLogP1.13
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 51.13
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

N'-(2-chlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842103
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'-(3,4-dimethylphenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8842017
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8865973
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-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 9374171
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The IUPAC name of N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide (CID 8842075) is N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The canonical SMILES for N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is O=C(C[C@@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
The InChIKey is DDYHCDOAXHIUFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14Cl2N2O5S2/c13-9-2-1-3-10(12(9)14)23(20,21)16-15-11(17)6-8-4-5-22(18,19)7-8/h1-3,8,16H,4-7H2,(H,15,17)/t8-/m0/s1.
What are the key properties of N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide?
N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide has a molecular weight of 401.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)sulfonyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide is sourced from PubChem (CID 8842075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).