4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine

C16H14ClN3O4S2 — CID 2378003

IUPAC4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ncnc3sccc23)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H14ClN3O4S2/c17-13-9-11(26(21,22)20-4-6-23-7-5-20)1-2-14(13)24-15-12-3-8-25-16(12)19-10-18-15/h1-3,8-10H,4-7H2
InChIKeyGWWDKWSOKDWNHU-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.16
Rot. Bonds4

About 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine

4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine (PubChem CID 2378003) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine
PubChem CID2378003
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ncnc3sccc23)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H14ClN3O4S2/c17-13-9-11(26(21,22)20-4-6-23-7-5-20)1-2-14(13)24-15-12-3-8-25-16(12)19-10-18-15/h1-3,8-10H,4-7H2
InChIKeyGWWDKWSOKDWNHU-UHFFFAOYSA-N
XLogP3.16
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2082240
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 2490622
4-[[12-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl]methyl]morpholine
CID 2396042
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 34007003
2-methoxy-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 55450676
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-[[6-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-3-pyridinyl]sulfonyl]morpholine
CID 2564250

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine (CID 2378003) is 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine is O=S(=O)(c1ccc(Oc2ncnc3sccc23)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine?
The InChIKey is GWWDKWSOKDWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c17-13-9-11(26(21,22)20-4-6-23-7-5-20)1-2-14(13)24-15-12-3-8-25-16(12)19-10-18-15/h1-3,8-10H,4-7H2.
What are the key properties of 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine?
4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine has a molecular weight of 411.89 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 2378003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).