5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

C24H23ClN2O4S — CID 53102558

IUPAC5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2
InChIInChI=1S/C24H23ClN2O4S/c1-16-5-3-4-6-20(16)24(28)27-12-11-18-8-7-17(13-21(18)27)15-26-32(29,30)23-14-19(25)9-10-22(23)31-2/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeyWZHBFFZUNIRBNY-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.34
Rot. Bonds6

About 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102558) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102558
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2
InChIInChI=1S/C24H23ClN2O4S/c1-16-5-3-4-6-20(16)24(28)27-12-11-18-8-7-17(13-21(18)27)15-26-32(29,30)23-14-19(25)9-10-22(23)31-2/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeyWZHBFFZUNIRBNY-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
CID 53099323
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 53009052
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102558) is 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2.
What is the InChIKey of 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is WZHBFFZUNIRBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-16-5-3-4-6-20(16)24(28)27-12-11-18-8-7-17(13-21(18)27)15-26-32(29,30)23-14-19(25)9-10-22(23)31-2/h3-10,13-14,26H,11-12,15H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 470.98 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).