1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H16ClNO3S — CID 4914481

IUPAC1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-8-7-13(17)10-15(16)21-2/h3-8,10-11H,9H2,1-2H3
InChIKeyOUKVSHFPTJTGOA-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 4914481) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID4914481
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-8-7-13(17)10-15(16)21-2/h3-8,10-11H,9H2,1-2H3
InChIKeyOUKVSHFPTJTGOA-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 4914481) is 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1cc(Cl)ccc1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is OUKVSHFPTJTGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-8-7-13(17)10-15(16)21-2/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 337.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 4914481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).