N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide

C19H20ClN3O3S2 — CID 42138860

IUPACN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1
InChIInChI=1S/C19H20ClN3O3S2/c1-2-16-8-11-19(27-16)28(25,26)21-12-3-13-23-18(24)10-9-17(22-23)14-4-6-15(20)7-5-14/h4-11,21H,2-3,12-13H2,1H3
InChIKeyVDSKTHNEEVQXGK-UHFFFAOYSA-N
MW437.97 g/mol
LogP3.56
Rot. Bonds8

About N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide

N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 42138860) has the molecular formula C19H20ClN3O3S2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide
PubChem CID42138860
Molecular FormulaC19H20ClN3O3S2
Molecular Weight437.97 g/mol
Exact Mass437.06
IUPAC NameN-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1
InChIInChI=1S/C19H20ClN3O3S2/c1-2-16-8-11-19(27-16)28(25,26)21-12-3-13-23-18(24)10-9-17(22-23)14-4-6-15(20)7-5-14/h4-11,21H,2-3,12-13H2,1H3
InChIKeyVDSKTHNEEVQXGK-UHFFFAOYSA-N
XLogP3.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16820343
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzenesulfonamide
CID 41241467
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 41241474
N-[3-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42144180
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethylbutanamide
CID 121059131
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
4-iodo-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42143740

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide (CID 42138860) is N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1.
What is the InChIKey of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is VDSKTHNEEVQXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S2/c1-2-16-8-11-19(27-16)28(25,26)21-12-3-13-23-18(24)10-9-17(22-23)14-4-6-15(20)7-5-14/h4-11,21H,2-3,12-13H2,1H3.
What are the key properties of N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide?
N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 437.97 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 42138860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).