N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide

C15H11ClN2O3S2 — CID 2824153

IUPACN'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1csc2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O3S2/c16-10-6-7-14-12(8-10)13(9-22-14)15(19)17-18-23(20,21)11-4-2-1-3-5-11/h1-9,18H,(H,17,19)
InChIKeyDCFXRYKTDRYJEY-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.18
Rot. Bonds4

About N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide

N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide (PubChem CID 2824153) has the molecular formula C15H11ClN2O3S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide
PubChem CID2824153
Molecular FormulaC15H11ClN2O3S2
Molecular Weight366.85 g/mol
Exact Mass365.99
IUPAC NameN'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1csc2ccc(Cl)cc12
InChIInChI=1S/C15H11ClN2O3S2/c16-10-6-7-14-12(8-10)13(9-22-14)15(19)17-18-23(20,21)11-4-2-1-3-5-11/h1-9,18H,(H,17,19)
InChIKeyDCFXRYKTDRYJEY-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide (CID 2824153) is N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1csc2ccc(Cl)cc12.
What is the InChIKey of N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide?
The InChIKey is DCFXRYKTDRYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S2/c16-10-6-7-14-12(8-10)13(9-22-14)15(19)17-18-23(20,21)11-4-2-1-3-5-11/h1-9,18H,(H,17,19).
What are the key properties of N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide?
N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide has a molecular weight of 366.85 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-5-chloro-1-benzothiophene-3-carbohydrazide is sourced from PubChem (CID 2824153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).