N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

C24H24N2O4S — CID 26290496

IUPACN-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-25(17-18-8-4-3-5-9-18)31(28,29)23-16-20(12-13-22(23)30-2)24(27)26-15-14-19-10-6-7-11-21(19)26/h3-13,16H,14-15,17H2,1-2H3
InChIKeyNPDJNNFNASSZFO-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.72
Rot. Bonds6

About N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 26290496) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID26290496
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-25(17-18-8-4-3-5-9-18)31(28,29)23-16-20(12-13-22(23)30-2)24(27)26-15-14-19-10-6-7-11-21(19)26/h3-13,16H,14-15,17H2,1-2H3
InChIKeyNPDJNNFNASSZFO-UHFFFAOYSA-N
XLogP3.72
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
CID 55514916
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
N-benzyl-2-methoxy-N-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55589275
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (CID 26290496) is N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is COc1ccc(C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NPDJNNFNASSZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-25(17-18-8-4-3-5-9-18)31(28,29)23-16-20(12-13-22(23)30-2)24(27)26-15-14-19-10-6-7-11-21(19)26/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 26290496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).