N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide

C14H20N4O2S — CID 122274633

IUPACN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C14H20N4O2S/c1-3-4-7-21(19,20)17-9-12-5-6-14(15-8-12)13-10-16-18(2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyGKGUXFZDJXEEKA-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.70
Rot. Bonds7

About N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide (PubChem CID 122274633) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
PubChem CID122274633
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C14H20N4O2S/c1-3-4-7-21(19,20)17-9-12-5-6-14(15-8-12)13-10-16-18(2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyGKGUXFZDJXEEKA-UHFFFAOYSA-N
XLogP1.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122274694
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
CID 121196930
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
3-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122274699
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide (CID 122274633) is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide?
The InChIKey is GKGUXFZDJXEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-4-7-21(19,20)17-9-12-5-6-14(15-8-12)13-10-16-18(2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide?
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 122274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).