5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole

C19H21NO3S — CID 102576520

IUPAC5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole
SMILESCCC(c1c[nH]c2ccc(OC)cc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-19(24(21,22)15-8-5-13(2)6-9-15)17-12-20-18-10-7-14(23-3)11-16(17)18/h5-12,19-20H,4H2,1-3H3
InChIKeyQHYGHTPMRIEKMS-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.41
Rot. Bonds5

About 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole

5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole (PubChem CID 102576520) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole
PubChem CID102576520
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole
SMILESCCC(c1c[nH]c2ccc(OC)cc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-19(24(21,22)15-8-5-13(2)6-9-15)17-12-20-18-10-7-14(23-3)11-16(17)18/h5-12,19-20H,4H2,1-3H3
InChIKeyQHYGHTPMRIEKMS-UHFFFAOYSA-N
XLogP4.41
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methylphenyl)sulfonylmethanol
CID 66853258
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
5-methoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087575
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
methyl 3-(5-methoxy-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 134909144
N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 136717924

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole (CID 102576520) is 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole is CCC(c1c[nH]c2ccc(OC)cc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole?
The InChIKey is QHYGHTPMRIEKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-4-19(24(21,22)15-8-5-13(2)6-9-15)17-12-20-18-10-7-14(23-3)11-16(17)18/h5-12,19-20H,4H2,1-3H3.
What are the key properties of 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole?
5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole has a molecular weight of 343.45 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-(4-methylphenyl)sulfonylpropyl]-1H-indole is sourced from PubChem (CID 102576520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).