1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole

C17H19NO3S — CID 110669474

IUPAC1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-17(2)12-18(16-7-5-4-6-15(16)17)22(19,20)14-10-8-13(21-3)9-11-14/h4-11H,12H2,1-3H3
InChIKeyBVGODSZAJVYYSR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole

1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole (PubChem CID 110669474) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
PubChem CID110669474
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-17(2)12-18(16-7-5-4-6-15(16)17)22(19,20)14-10-8-13(21-3)9-11-14/h4-11H,12H2,1-3H3
InChIKeyBVGODSZAJVYYSR-UHFFFAOYSA-N
XLogP3.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
CID 91946252
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
1-cyclopropyl-4-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 110715218
1-[4-(2-methoxypropan-2-yl)phenyl]sulfonylspiro[2H-indole-3,1'-cyclopentane]
CID 170540669
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
(2Z)-2-[(3R)-1-[(4-methoxyphenyl)methyl]-1'-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-2'-ylidene]acetaldehyde
CID 132603413
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
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(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
8-(4-methoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
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(2S)-4-(4-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole (CID 110669474) is 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole is COc1ccc(S(=O)(=O)N2CC(C)(C)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole?
The InChIKey is BVGODSZAJVYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-17(2)12-18(16-7-5-4-6-15(16)17)22(19,20)14-10-8-13(21-3)9-11-14/h4-11H,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole?
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole has a molecular weight of 317.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole is sourced from PubChem (CID 110669474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).