2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine

C20H23ClN2O3S2 — CID 69408285

IUPAC2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(SCCN(C)C)c(C)n2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3S2/c1-14-20(27-11-10-22(2)3)18-13-16(26-4)8-9-19(18)23(14)28(24,25)17-7-5-6-15(21)12-17/h5-9,12-13H,10-11H2,1-4H3
InChIKeyQIVHCWNSLSOHRS-UHFFFAOYSA-N
MW439.00 g/mol
LogP4.50
Rot. Bonds7

About 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine

2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine (PubChem CID 69408285) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
PubChem CID69408285
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC Name2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(SCCN(C)C)c(C)n2S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O3S2/c1-14-20(27-11-10-22(2)3)18-13-16(26-4)8-9-19(18)23(14)28(24,25)17-7-5-6-15(21)12-17/h5-9,12-13H,10-11H2,1-4H3
InChIKeyQIVHCWNSLSOHRS-UHFFFAOYSA-N
XLogP4.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68692673
ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
CID 10937613
1-[1-(4-methoxyphenyl)sulfonyl-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
CID 69407821
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enylindole
CID 71722470
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
CID 162648090
3-(bromomethyl)-5-methoxy-2-methyl-1-methylsulfonylindole
CID 22262941
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine (CID 69408285) is 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine is COc1ccc2c(c1)c(SCCN(C)C)c(C)n2S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is QIVHCWNSLSOHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c1-14-20(27-11-10-22(2)3)18-13-16(26-4)8-9-19(18)23(14)28(24,25)17-7-5-6-15(21)12-17/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine?
2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 439.00 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 69408285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).