5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

C18H17N3O3S2 — CID 20923057

IUPAC5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C18H17N3O3S2/c22-17-10-8-15(19-20-17)16-9-11-18(25-16)26(23,24)21-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,8-11,14,21H,3,5,7H2,(H,20,22)
InChIKeyHGXJGAIPLVDZBB-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.85
Rot. Bonds4

About 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide

5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 20923057) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID20923057
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1
InChIInChI=1S/C18H17N3O3S2/c22-17-10-8-15(19-20-17)16-9-11-18(25-16)26(23,24)21-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,8-11,14,21H,3,5,7H2,(H,20,22)
InChIKeyHGXJGAIPLVDZBB-UHFFFAOYSA-N
XLogP2.85
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53102929
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-sulfonamide
CID 102692407
6-methyl-2,4-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrimidine-5-sulfonamide
CID 28561014
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,3-thiazole-5-sulfonamide
CID 60724039
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92723328
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 93056592

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide (CID 20923057) is 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NC3CCCc4ccccc43)s2)n[nH]1.
What is the InChIKey of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is HGXJGAIPLVDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17-10-8-15(19-20-17)16-9-11-18(25-16)26(23,24)21-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,8-11,14,21H,3,5,7H2,(H,20,22).
What are the key properties of 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide?
5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 387.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).