4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine

C15H16ClN3O2S2 — CID 2819306

IUPAC4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
SMILESCc1nc(N2CCSCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2S2/c1-11-14(23(20,21)13-4-2-12(16)3-5-13)10-17-15(18-11)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyZRJNWYJOCDRXPQ-UHFFFAOYSA-N
MW369.90 g/mol
LogP2.82
Rot. Bonds3

About 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine

4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine (PubChem CID 2819306) has the molecular formula C15H16ClN3O2S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
PubChem CID2819306
Molecular FormulaC15H16ClN3O2S2
Molecular Weight369.90 g/mol
Exact Mass369.04
IUPAC Name4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine
SMILESCc1nc(N2CCSCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2S2/c1-11-14(23(20,21)13-4-2-12(16)3-5-13)10-17-15(18-11)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyZRJNWYJOCDRXPQ-UHFFFAOYSA-N
XLogP2.82
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Chloro-benzenesulfonyl)-pyrimidine-2,4-diamine
CID 2819040
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)pyrimidine
CID 1475402
(6-Chloro-2-methyl-4-pyrimidinyl)methyl 4-chlorophenyl sulfone
CID 1476657
N-{5-[(4-chlorophenyl)sulfonyl]-4-phenyl-2-pyrimidinyl}-N,N-dimethylamine
CID 1488252
4-Chlorophenyl 2-methyl-4-phenyl-5-pyrimidinyl sulfone
CID 1488253
4-(6-(((4-Chlorophenyl)sulfonyl)methyl)-2-methyl-4-pyrimidinyl)morpholine
CID 1479479
(S)-2-(3-(2-chloro-4-fluorophenylsulfonyl)pyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 57334444
N-[4-(2-chlorophenyl)-5-(phenylsulfonyl)-2-pyrimidinyl]-N,N-dimethylamine
CID 1488194
5-(4-Chlorophenyl)sulfonyl-2-methylpyrimidin-4-amine
CID 2819036
5-[(4-Chlorophenyl)sulfanyl]-4-methyl-2-pyrimidinylamine
CID 1475314
4-[(4-Chlorophenyl)sulfinylmethyl]-6-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 23881442

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine?
The IUPAC name of 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine (CID 2819306) is 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine?
The canonical SMILES for 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine is Cc1nc(N2CCSCC2)ncc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine?
The InChIKey is ZRJNWYJOCDRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S2/c1-11-14(23(20,21)13-4-2-12(16)3-5-13)10-17-15(18-11)19-6-8-22-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine?
4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine has a molecular weight of 369.90 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)sulfonyl-4-methylpyrimidin-2-yl]thiomorpholine is sourced from PubChem (CID 2819306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).