1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C17H18ClNO3S — CID 2978845

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18ClNO3S/c1-11-8-16(22-3)17(10-14(11)18)23(20,21)19-12(2)9-13-6-4-5-7-15(13)19/h4-8,10,12H,9H2,1-3H3
InChIKeySANLXPHMIKLRFY-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 2978845) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID2978845
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C17H18ClNO3S/c1-11-8-16(22-3)17(10-14(11)18)23(20,21)19-12(2)9-13-6-4-5-7-15(13)19/h4-8,10,12H,9H2,1-3H3
InChIKeySANLXPHMIKLRFY-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 5298031
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 2978845) is 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1cc(C)c(Cl)cc1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is SANLXPHMIKLRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11-8-16(22-3)17(10-14(11)18)23(20,21)19-12(2)9-13-6-4-5-7-15(13)19/h4-8,10,12H,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 351.86 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 2978845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).