N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide

C13H12N4O2S2 — CID 65451533

IUPACN-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccn1
InChIInChI=1S/C13H12N4O2S2/c14-16-13-8-11(3-5-15-13)21(18,19)17-10-1-2-12-9(7-10)4-6-20-12/h1-8,17H,14H2,(H,15,16)
InChIKeyRZYOCCXARJEXAG-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.38
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide

N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 65451533) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID65451533
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
SMILESNNc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccn1
InChIInChI=1S/C13H12N4O2S2/c14-16-13-8-11(3-5-15-13)21(18,19)17-10-1-2-12-9(7-10)4-6-20-12/h1-8,17H,14H2,(H,15,16)
InChIKeyRZYOCCXARJEXAG-UHFFFAOYSA-N
XLogP2.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(3-chloro-4-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
N-(4-fluoro-3-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62812201
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004459
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107584202
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
2-hydrazinyl-N-(thiatriazol-5-yl)pyridine-4-sulfonamide
CID 114912904
N-(1-benzothiophen-5-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103306326
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide (CID 65451533) is N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide is NNc1cc(S(=O)(=O)Nc2ccc3sccc3c2)ccn1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is RZYOCCXARJEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c14-16-13-8-11(3-5-15-13)21(18,19)17-10-1-2-12-9(7-10)4-6-20-12/h1-8,17H,14H2,(H,15,16).
What are the key properties of N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide?
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 65451533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).