1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide

C16H18N2O5S2 — CID 47784403

IUPAC1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H18N2O5S2/c1-17-24(19,20)13-7-8-14-12(11-13)9-10-18(14)25(21,22)16-6-4-3-5-15(16)23-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyLEDHVJYIPNWXLL-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide

1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 47784403) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID47784403
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C16H18N2O5S2/c1-17-24(19,20)13-7-8-14-12(11-13)9-10-18(14)25(21,22)16-6-4-3-5-15(16)23-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyLEDHVJYIPNWXLL-UHFFFAOYSA-N
XLogP1.35
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 60586163
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 47784402
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
N-methyl-1-[(3-nitrophenyl)methylsulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 71908716

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 47784403) is 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LEDHVJYIPNWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-17-24(19,20)13-7-8-14-12(11-13)9-10-18(14)25(21,22)16-6-4-3-5-15(16)23-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 382.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 47784403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).