2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide

C7H8ClN3O3S — CID 2402656

IUPAC2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8ClN3O3S/c8-5-2-1-4(7(12)11-9)3-6(5)15(10,13)14/h1-3H,9H2,(H,11,12)(H2,10,13,14)
InChIKeyXKQKCGDIIVQYKP-UHFFFAOYSA-N
MW249.68 g/mol
LogP-0.41
Rot. Bonds2

About 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide

2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 2402656) has the molecular formula C7H8ClN3O3S and a molecular weight of 249.68 g/mol. Its IUPAC name is 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID2402656
Molecular FormulaC7H8ClN3O3S
Molecular Weight249.68 g/mol
Exact Mass249.00
IUPAC Name2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8ClN3O3S/c8-5-2-1-4(7(12)11-9)3-6(5)15(10,13)14/h1-3H,9H2,(H,11,12)(H2,10,13,14)
InChIKeyXKQKCGDIIVQYKP-UHFFFAOYSA-N
XLogP-0.41
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide (CID 2402656) is 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide is NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is XKQKCGDIIVQYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3S/c8-5-2-1-4(7(12)11-9)3-6(5)15(10,13)14/h1-3H,9H2,(H,11,12)(H2,10,13,14).
What are the key properties of 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide?
2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 249.68 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 2402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).