6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide

C13H16N4O2S2 — CID 62844946

IUPAC6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NC2CCCc3sccc32)cn1
InChIInChI=1S/C13H16N4O2S2/c14-16-13-5-4-9(8-15-13)21(18,19)17-11-2-1-3-12-10(11)6-7-20-12/h4-8,11,17H,1-3,14H2,(H,15,16)
InChIKeyLAHAELSIPSYKIV-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.78
Rot. Bonds4

About 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide

6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide (PubChem CID 62844946) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
PubChem CID62844946
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
SMILESNNc1ccc(S(=O)(=O)NC2CCCc3sccc32)cn1
InChIInChI=1S/C13H16N4O2S2/c14-16-13-5-4-9(8-15-13)21(18,19)17-11-2-1-3-12-10(11)6-7-20-12/h4-8,11,17H,1-3,14H2,(H,15,16)
InChIKeyLAHAELSIPSYKIV-UHFFFAOYSA-N
XLogP1.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.78
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

4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040
2-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide
CID 62844973
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 81241971
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-3-sulfonamide
CID 61480808
4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
6-hydrazinyl-N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63661604
2-chloro-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-thiazole-5-sulfonamide
CID 62844035
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butane-1-sulfonamide
CID 114141023
2-cyano-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62844933
5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62843215

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide (CID 62844946) is 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide is NNc1ccc(S(=O)(=O)NC2CCCc3sccc32)cn1.
What is the InChIKey of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
The InChIKey is LAHAELSIPSYKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c14-16-13-5-4-9(8-15-13)21(18,19)17-11-2-1-3-12-10(11)6-7-20-12/h4-8,11,17H,1-3,14H2,(H,15,16).
What are the key properties of 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide?
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62844946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).