5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide

C16H16N4O2S2 — CID 113027958

IUPAC5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)s1
InChIInChI=1S/C16H16N4O2S2/c1-12-2-5-16(23-12)24(21,22)20-15-4-3-14(11-19-15)18-10-13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyWZCRDXOFHJBJOX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.26
Rot. Bonds6

About 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide

5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113027958) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113027958
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)s1
InChIInChI=1S/C16H16N4O2S2/c1-12-2-5-16(23-12)24(21,22)20-15-4-3-14(11-19-15)18-10-13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3,(H,19,20)
InChIKeyWZCRDXOFHJBJOX-UHFFFAOYSA-N
XLogP3.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
5-ethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011834
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113027958) is 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccncc3)cn2)s1.
What is the InChIKey of 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is WZCRDXOFHJBJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-12-2-5-16(23-12)24(21,22)20-15-4-3-14(11-19-15)18-10-13-6-8-17-9-7-13/h2-9,11,18H,10H2,1H3,(H,19,20).
What are the key properties of 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide?
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113027958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).