N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C17H18N2O4S — CID 110779876

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O4S/c1-11-3-6-16(23-2)13(7-11)10-18-24(21,22)14-4-5-15-12(8-14)9-17(20)19-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyPBSQVQITWWWJRS-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.98
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 110779876) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID110779876
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C17H18N2O4S/c1-11-3-6-16(23-2)13(7-11)10-18-24(21,22)14-4-5-15-12(8-14)9-17(20)19-15/h3-8,18H,9-10H2,1-2H3,(H,19,20)
InChIKeyPBSQVQITWWWJRS-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
N-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110782261
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 139975297
N-(5-ethyl-2-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110777264
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113102003
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 46335986
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110324489
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 110779876) is N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is COc1ccc(C)cc1CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is PBSQVQITWWWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-3-6-16(23-2)13(7-11)10-18-24(21,22)14-4-5-15-12(8-14)9-17(20)19-15/h3-8,18H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110779876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).