(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone

C19H17ClN2O2S — CID 86224609

IUPAC(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O2S/c20-13-6-7-16-15(12-13)18(25-14-4-2-1-3-5-14)17(21-16)19(23)22-8-10-24-11-9-22/h1-7,12,21H,8-11H2
InChIKeyRIXJRIYPETYCMU-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.44
Rot. Bonds3

About (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone

(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone (PubChem CID 86224609) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone
PubChem CID86224609
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O2S/c20-13-6-7-16-15(12-13)18(25-14-4-2-1-3-5-14)17(21-16)19(23)22-8-10-24-11-9-22/h1-7,12,21H,8-11H2
InChIKeyRIXJRIYPETYCMU-UHFFFAOYSA-N
XLogP4.44
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(morpholin-4-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxylic acid
CID 142756822
5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid
CID 11545071
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]methanone
CID 22513721
(5-chloro-3-methyl-1H-indol-2-yl)-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 72929058
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
methyl 5-chloro-3-(4-methylphenyl)sulfanyl-1H-indole-2-carboxylate
CID 10903684
ethyl 5-chloro-3-(4-methoxyphenyl)sulfanyl-1H-indole-2-carboxylate
CID 146173933
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
2-cyclopentyl-1-[4-(3,5-dichloro-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55912749
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
CID 56914150
[2-(4-chlorophenyl)sulfanyl-5-[[5-(4-chlorophenyl)sulfanylpyrrol-2-ylidene]-phenylsulfanylmethyl]-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
CID 164940702
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone (CID 86224609) is (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone is O=C(c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1)N1CCOCC1.
What is the InChIKey of (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is RIXJRIYPETYCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-13-6-7-16-15(12-13)18(25-14-4-2-1-3-5-14)17(21-16)19(23)22-8-10-24-11-9-22/h1-7,12,21H,8-11H2.
What are the key properties of (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone?
(5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 372.88 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-phenylsulfanyl-1H-indol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 86224609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).