1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole

C24H23NO3S — CID 68745187

IUPAC1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole
SMILESCC(C)(C)Oc1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-24(2,3)28-20-15-13-18(14-16-20)23-17-19-9-7-8-12-22(19)25(23)29(26,27)21-10-5-4-6-11-21/h4-17H,1-3H3
InChIKeyWKCLEEIGDASJAM-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.72
Rot. Bonds4

About 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole

1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole (PubChem CID 68745187) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole
PubChem CID68745187
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole
SMILESCC(C)(C)Oc1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO3S/c1-24(2,3)28-20-15-13-18(14-16-20)23-17-19-9-7-8-12-22(19)25(23)29(26,27)21-10-5-4-6-11-21/h4-17H,1-3H3
InChIKeyWKCLEEIGDASJAM-UHFFFAOYSA-N
XLogP5.72
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole?
The IUPAC name of 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole (CID 68745187) is 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole is CC(C)(C)Oc1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole?
The InChIKey is WKCLEEIGDASJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-24(2,3)28-20-15-13-18(14-16-20)23-17-19-9-7-8-12-22(19)25(23)29(26,27)21-10-5-4-6-11-21/h4-17H,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole?
1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole has a molecular weight of 405.52 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]indole is sourced from PubChem (CID 68745187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).