2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

C17H18N2O5S — CID 110405976

IUPAC2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)c1
InChIInChI=1S/C17H18N2O5S/c1-10-13-8-11(4-6-14(13)18-17(10)20)19-25(21,22)16-9-12(23-2)5-7-15(16)24-3/h4-10,19H,1-3H3,(H,18,20)
InChIKeyTYVIHZRHCSCJRT-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.56
Rot. Bonds5

About 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 110405976) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID110405976
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)c1
InChIInChI=1S/C17H18N2O5S/c1-10-13-8-11(4-6-14(13)18-17(10)20)19-25(21,22)16-9-12(23-2)5-7-15(16)24-3/h4-10,19H,1-3H3,(H,18,20)
InChIKeyTYVIHZRHCSCJRT-UHFFFAOYSA-N
XLogP2.56
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405985
5-chloro-2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406161
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (CID 110405976) is 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(C)C(=O)N3)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is TYVIHZRHCSCJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-13-8-11(4-6-14(13)18-17(10)20)19-25(21,22)16-9-12(23-2)5-7-15(16)24-3/h4-10,19H,1-3H3,(H,18,20).
What are the key properties of 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110405976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).