N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C12H17N5O3S — CID 106059980

IUPACN-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2ccc(OC)nc2)cn1
InChIInChI=1S/C12H17N5O3S/c1-13-5-6-17-9-11(8-15-17)21(18,19)16-10-3-4-12(20-2)14-7-10/h3-4,7-9,13,16H,5-6H2,1-2H3
InChIKeyKHBRHVNOQYXIOB-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.31
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106059980) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106059980
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)Nc2ccc(OC)nc2)cn1
InChIInChI=1S/C12H17N5O3S/c1-13-5-6-17-9-11(8-15-17)21(18,19)16-10-3-4-12(20-2)14-7-10/h3-4,7-9,13,16H,5-6H2,1-2H3
InChIKeyKHBRHVNOQYXIOB-UHFFFAOYSA-N
XLogP0.31
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 166234786
1-[2-(methylamino)ethyl]-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086969
N-(4-fluoro-2-iodophenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106071507
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106018448
N-(5-bromo-6-methyl-2-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106070412
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106059980) is N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)Nc2ccc(OC)nc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is KHBRHVNOQYXIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-13-5-6-17-9-11(8-15-17)21(18,19)16-10-3-4-12(20-2)14-7-10/h3-4,7-9,13,16H,5-6H2,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106059980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).