5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C18H17ClN4O3S2 — CID 22576140

IUPAC5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN4O3S2/c19-16-5-7-18(27-16)28(24,25)22-14-3-1-2-13(12-14)15-4-6-17(21-20-15)23-8-10-26-11-9-23/h1-7,12,22H,8-11H2
InChIKeyHOBMPUOKMFOYCH-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 22576140) has the molecular formula C18H17ClN4O3S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID22576140
Molecular FormulaC18H17ClN4O3S2
Molecular Weight436.95 g/mol
Exact Mass436.04
IUPAC Name5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)s1
InChIInChI=1S/C18H17ClN4O3S2/c19-16-5-7-18(27-16)28(24,25)22-14-3-1-2-13(12-14)15-4-6-17(21-20-15)23-8-10-26-11-9-23/h1-7,12,22H,8-11H2
InChIKeyHOBMPUOKMFOYCH-UHFFFAOYSA-N
XLogP3.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
1-(2-chlorophenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991973
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 110361652
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 22576140) is 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is HOBMPUOKMFOYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S2/c19-16-5-7-18(27-16)28(24,25)22-14-3-1-2-13(12-14)15-4-6-17(21-20-15)23-8-10-26-11-9-23/h1-7,12,22H,8-11H2.
What are the key properties of 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 436.95 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22576140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).