4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine

C15H16ClNO3S2 — CID 110364559

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
SMILESCc1ccccc1C1CN(S(=O)(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C15H16ClNO3S2/c1-11-4-2-3-5-12(11)13-10-17(8-9-20-13)22(18,19)15-7-6-14(16)21-15/h2-7,13H,8-10H2,1H3
InChIKeyZJMIMHYTSAWTCX-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.47
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine

4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine (PubChem CID 110364559) has the molecular formula C15H16ClNO3S2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
PubChem CID110364559
Molecular FormulaC15H16ClNO3S2
Molecular Weight357.88 g/mol
Exact Mass357.03
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
SMILESCc1ccccc1C1CN(S(=O)(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C15H16ClNO3S2/c1-11-4-2-3-5-12(11)13-10-17(8-9-20-13)22(18,19)15-7-6-14(16)21-15/h2-7,13H,8-10H2,1H3
InChIKeyZJMIMHYTSAWTCX-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
2-(3,4-dichlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylmorpholine
CID 110364335
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
(2S)-4-(5-bromothiophen-2-yl)sulfonyl-2-(3,5-dichlorophenyl)morpholine
CID 97106617
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
2-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylmorpholine
CID 110326908
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine (CID 110364559) is 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine is Cc1ccccc1C1CN(S(=O)(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine?
The InChIKey is ZJMIMHYTSAWTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S2/c1-11-4-2-3-5-12(11)13-10-17(8-9-20-13)22(18,19)15-7-6-14(16)21-15/h2-7,13H,8-10H2,1H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine?
4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine has a molecular weight of 357.88 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine is sourced from PubChem (CID 110364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).