5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

C10H11ClN4O3S — CID 82873052

IUPAC5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n1
InChIInChI=1S/C10H11ClN4O3S/c1-15-3-2-7(14-15)5-13-19(17,18)8-4-9(11)10(16)12-6-8/h2-4,6,13H,5H2,1H3,(H,12,16)
InChIKeyOBYNQULEPOXMRG-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.24
Rot. Bonds4

About 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 82873052) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID82873052
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n1
InChIInChI=1S/C10H11ClN4O3S/c1-15-3-2-7(14-15)5-13-19(17,18)8-4-9(11)10(16)12-6-8/h2-4,6,13H,5H2,1H3,(H,12,16)
InChIKeyOBYNQULEPOXMRG-UHFFFAOYSA-N
XLogP0.24
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608654
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
3-bromo-4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 82873052) is 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is Cn1ccc(CNS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)n1.
What is the InChIKey of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is OBYNQULEPOXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-15-3-2-7(14-15)5-13-19(17,18)8-4-9(11)10(16)12-6-8/h2-4,6,13H,5H2,1H3,(H,12,16).
What are the key properties of 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 302.74 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 82873052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).