5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole

C17H19NO3S — CID 174764020

IUPAC5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
SMILESCOc1ccc(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3)cc1
InChIInChI=1S/C17H19NO3S/c1-17(2)11-18-16-9-8-14(10-15(16)17)22(19,20)13-6-4-12(21-3)5-7-13/h4-10,18H,11H2,1-3H3
InChIKeyIEFJBHAQYUNETE-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.23
Rot. Bonds3

About 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole

5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole (PubChem CID 174764020) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
PubChem CID174764020
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole
SMILESCOc1ccc(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3)cc1
InChIInChI=1S/C17H19NO3S/c1-17(2)11-18-16-9-8-14(10-15(16)17)22(19,20)13-6-4-12(21-3)5-7-13/h4-10,18H,11H2,1-3H3
InChIKeyIEFJBHAQYUNETE-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-methylsulfonyl-1,2-dihydroindole
CID 46941780
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
5-(4-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 90969251
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2-sulfonamide
CID 6473379
(5aR,10bR)-9-(3-methoxyphenyl)sulfonyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole;(5aR,10bR)-9-(4-methoxyphenyl)sulfonyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,5-b]indole
CID 159041465

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole (CID 174764020) is 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole is COc1ccc(S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is IEFJBHAQYUNETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-17(2)11-18-16-9-8-14(10-15(16)17)22(19,20)13-6-4-12(21-3)5-7-13/h4-10,18H,11H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole?
5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 317.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 174764020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).