4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C18H18N4O3S — CID 122275576

IUPAC4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)14-5-7-17(8-6-14)26(24,25)21-11-15-4-3-9-19-18(15)16-10-20-22(2)12-16/h3-10,12,21H,11H2,1-2H3
InChIKeyQDNJFCFJUSALGB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.16
Rot. Bonds6

About 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122275576) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID122275576
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)14-5-7-17(8-6-14)26(24,25)21-11-15-4-3-9-19-18(15)16-10-20-22(2)12-16/h3-10,12,21H,11H2,1-2H3
InChIKeyQDNJFCFJUSALGB-UHFFFAOYSA-N
XLogP2.16
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121022847
4-fluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275553
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyridine-3-sulfonamide
CID 122275551
3,5-difluoro-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122275612
1,2-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]imidazole-4-sulfonamide
CID 122275647
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 122275603
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122246650
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 122275576) is 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cccnc2-c2cnn(C)c2)cc1.
What is the InChIKey of 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is QDNJFCFJUSALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13(23)14-5-7-17(8-6-14)26(24,25)21-11-15-4-3-9-19-18(15)16-10-20-22(2)12-16/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122275576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).