N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C18H15ClN4O4S2 — CID 108796370

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H15ClN4O4S2/c19-16-8-9-17(22-21-16)23-29(26,27)13-5-3-12(4-6-13)20-18(25)10-7-14(24)15-2-1-11-28-15/h1-6,8-9,11H,7,10H2,(H,20,25)(H,22,23)
InChIKeyGTQGTZSCUIQNSW-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.59
Rot. Bonds8

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108796370) has the molecular formula C18H15ClN4O4S2 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108796370
Molecular FormulaC18H15ClN4O4S2
Molecular Weight450.93 g/mol
Exact Mass450.02
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C18H15ClN4O4S2/c19-16-8-9-17(22-21-16)23-29(26,27)13-5-3-12(4-6-13)20-18(25)10-7-14(24)15-2-1-11-28-15/h1-6,8-9,11H,7,10H2,(H,20,25)(H,22,23)
InChIKeyGTQGTZSCUIQNSW-UHFFFAOYSA-N
XLogP3.59
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525778
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557758
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022428
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 25049181
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108796370) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is GTQGTZSCUIQNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S2/c19-16-8-9-17(22-21-16)23-29(26,27)13-5-3-12(4-6-13)20-18(25)10-7-14(24)15-2-1-11-28-15/h1-6,8-9,11H,7,10H2,(H,20,25)(H,22,23).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 450.93 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).