N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C14H17N3O3S2 — CID 6624608

IUPACN-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)s2)n[nH]1
InChIInChI=1S/C14H17N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h6-10,17H,1-5H2,(H,16,18)
InChIKeyXQAVWOURAOPSFC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.11
Rot. Bonds4

About N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 6624608) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID6624608
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)s2)n[nH]1
InChIInChI=1S/C14H17N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h6-10,17H,1-5H2,(H,16,18)
InChIKeyXQAVWOURAOPSFC-UHFFFAOYSA-N
XLogP2.11
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 6624608) is N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)s2)n[nH]1.
What is the InChIKey of N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is XQAVWOURAOPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c18-13-8-6-11(15-16-13)12-7-9-14(21-12)22(19,20)17-10-4-2-1-3-5-10/h6-10,17H,1-5H2,(H,16,18).
What are the key properties of N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 6624608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).