5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide

C12H11N3O3S2 — CID 106268154

IUPAC5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cn1
InChIInChI=1S/C12H11N3O3S2/c1-18-11-4-2-9(7-14-11)8-15-20(16,17)12-5-3-10(6-13)19-12/h2-5,7,15H,8H2,1H3
InChIKeyGUCYDEJORZFDEE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.50
Rot. Bonds5

About 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide

5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 106268154) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID106268154
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cn1
InChIInChI=1S/C12H11N3O3S2/c1-18-11-4-2-9(7-14-11)8-15-20(16,17)12-5-3-10(6-13)19-12/h2-5,7,15H,8H2,1H3
InChIKeyGUCYDEJORZFDEE-UHFFFAOYSA-N
XLogP1.50
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545345
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide (CID 106268154) is 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cn1.
What is the InChIKey of 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is GUCYDEJORZFDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-18-11-4-2-9(7-14-11)8-15-20(16,17)12-5-3-10(6-13)19-12/h2-5,7,15H,8H2,1H3.
What are the key properties of 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide?
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).