N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C16H15N3O3S2 — CID 20939845

IUPACN-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C16H15N3O3S2/c1-11-3-2-4-12(9-11)10-17-24(21,22)16-8-6-14(23-16)13-5-7-15(20)19-18-13/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeyITVUGTQQEWUIFH-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.29
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939845) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939845
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C16H15N3O3S2/c1-11-3-2-4-12(9-11)10-17-24(21,22)16-8-6-14(23-16)13-5-7-15(20)19-18-13/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeyITVUGTQQEWUIFH-UHFFFAOYSA-N
XLogP2.29
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939845) is N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is Cc1cccc(CNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is ITVUGTQQEWUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-11-3-2-4-12(9-11)10-17-24(21,22)16-8-6-14(23-16)13-5-7-15(20)19-18-13/h2-9,17H,10H2,1H3,(H,19,20).
What are the key properties of N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 361.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).