N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide

C24H23ClN2O5S — CID 53092587

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H23ClN2O5S/c1-31-22-10-8-20(14-23(22)32-2)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeySSIGINLWWUSMFR-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.04
Rot. Bonds7

About N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 53092587) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID53092587
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C24H23ClN2O5S/c1-31-22-10-8-20(14-23(22)32-2)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeySSIGINLWWUSMFR-UHFFFAOYSA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 53009052
3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3,4-dimethoxybenzenesulfonamide
CID 27444717
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide (CID 53092587) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is SSIGINLWWUSMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-31-22-10-8-20(14-23(22)32-2)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3.
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 486.98 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 53092587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).