N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H19N3O3S2 — CID 53134880

IUPACN-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)n[nH]1
InChIInChI=1S/C15H19N3O3S2/c19-14-8-7-13(16-17-14)11-9-15(22-10-11)23(20,21)18-12-5-3-1-2-4-6-12/h7-10,12,18H,1-6H2,(H,17,19)
InChIKeyBVMSVXQVJYWPMQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.50
Rot. Bonds4

About N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134880) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134880
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)n[nH]1
InChIInChI=1S/C15H19N3O3S2/c19-14-8-7-13(16-17-14)11-9-15(22-10-11)23(20,21)18-12-5-3-1-2-4-6-12/h7-10,12,18H,1-6H2,(H,17,19)
InChIKeyBVMSVXQVJYWPMQ-UHFFFAOYSA-N
XLogP2.50
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
3-[5-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-3-yl]-1H-pyridazin-6-one
CID 95092750
N-(3,4-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134936
N-(2,5-difluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865
N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127206
N-(4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134871
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
N-(3-chloro-4-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134934
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135075
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134880) is N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)NC3CCCCCC3)c2)n[nH]1.
What is the InChIKey of N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is BVMSVXQVJYWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c19-14-8-7-13(16-17-14)11-9-15(22-10-11)23(20,21)18-12-5-3-1-2-4-6-12/h7-10,12,18H,1-6H2,(H,17,19).
What are the key properties of N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).