2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide

C12H14N4O3S — CID 62991116

IUPAC2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccnc(N)c2)ccn1
InChIInChI=1S/C12H14N4O3S/c1-19-12-6-9(2-4-15-12)8-16-20(17,18)10-3-5-14-11(13)7-10/h2-7,16H,8H2,1H3,(H2,13,14)
InChIKeyFTQLTUFHGWHEHC-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.55
Rot. Bonds5

About 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide

2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide (PubChem CID 62991116) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
PubChem CID62991116
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccnc(N)c2)ccn1
InChIInChI=1S/C12H14N4O3S/c1-19-12-6-9(2-4-15-12)8-16-20(17,18)10-3-5-14-11(13)7-10/h2-7,16H,8H2,1H3,(H2,13,14)
InChIKeyFTQLTUFHGWHEHC-UHFFFAOYSA-N
XLogP0.55
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062049
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 58108466
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide (CID 62991116) is 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide is COc1cc(CNS(=O)(=O)c2ccnc(N)c2)ccn1.
What is the InChIKey of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide?
The InChIKey is FTQLTUFHGWHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-19-12-6-9(2-4-15-12)8-16-20(17,18)10-3-5-14-11(13)7-10/h2-7,16H,8H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide?
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 62991116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).