(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H15Cl2NO3S — CID 1179545

IUPAC(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-10-7-11-5-3-4-6-14(11)19(10)23(20,21)16-9-12(17)15(22-2)8-13(16)18/h3-6,8-10H,7H2,1-2H3/t10-/m0/s1
InChIKeySOTDMAWATOHOTA-JTQLQIEISA-N
MW372.27 g/mol
LogP4.14
Rot. Bonds3

About (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 1179545) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID1179545
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl
InChIInChI=1S/C16H15Cl2NO3S/c1-10-7-11-5-3-4-6-14(11)19(10)23(20,21)16-9-12(17)15(22-2)8-13(16)18/h3-6,8-10H,7H2,1-2H3/t10-/m0/s1
InChIKeySOTDMAWATOHOTA-JTQLQIEISA-N
XLogP4.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
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-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
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
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 1179545) is (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1cc(Cl)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1Cl.
What is the InChIKey of (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is SOTDMAWATOHOTA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-10-7-11-5-3-4-6-14(11)19(10)23(20,21)16-9-12(17)15(22-2)8-13(16)18/h3-6,8-10H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 372.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 1179545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).