N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C19H20N4O2S2 — CID 7520734

IUPACN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccs1
InChIInChI=1S/C19H20N4O2S2/c24-27(25,19-8-5-13-26-19)22-16-7-4-6-15(14-16)17-9-10-18(21-20-17)23-11-2-1-3-12-23/h4-10,13-14,22H,1-3,11-12H2
InChIKeyHGINFPWPZIZXJL-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.00
Rot. Bonds5

About N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7520734) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7520734
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccs1
InChIInChI=1S/C19H20N4O2S2/c24-27(25,19-8-5-13-26-19)22-16-7-4-6-15(14-16)17-9-10-18(21-20-17)23-11-2-1-3-12-23/h4-10,13-14,22H,1-3,11-12H2
InChIKeyHGINFPWPZIZXJL-UHFFFAOYSA-N
XLogP4.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 57378375
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 30595881
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]thiophene-2-carboxamide
CID 7593249
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
1-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-3-thiophen-2-ylurea
CID 43991871
3-fluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595877
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 22576140
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 7520734) is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccs1.
What is the InChIKey of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is HGINFPWPZIZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c24-27(25,19-8-5-13-26-19)22-16-7-4-6-15(14-16)17-9-10-18(21-20-17)23-11-2-1-3-12-23/h4-10,13-14,22H,1-3,11-12H2.
What are the key properties of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 400.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7520734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).