4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide

C17H20N2O5S2 — CID 112506210

IUPAC4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O5S2/c1-12-10-15(24-2)5-7-17(12)26(22,23)18-14-4-6-16-13(11-14)8-9-19(16)25(3,20)21/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyJYUDMMCVQGOIGD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.13
Rot. Bonds5

About 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide

4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 112506210) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID112506210
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O5S2/c1-12-10-15(24-2)5-7-17(12)26(22,23)18-14-4-6-16-13(11-14)8-9-19(16)25(3,20)21/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyJYUDMMCVQGOIGD-UHFFFAOYSA-N
XLogP2.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926119
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-2-methylbenzenesulfonamide
CID 16826952
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 175255812
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
4-methoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517962
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide (CID 112506210) is 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is JYUDMMCVQGOIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-12-10-15(24-2)5-7-17(12)26(22,23)18-14-4-6-16-13(11-14)8-9-19(16)25(3,20)21/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 112506210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).