2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

C25H26N2O3S — CID 53102632

IUPAC2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C)cc4C)cc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-17-4-8-22(9-5-17)25(28)27-13-12-21-10-7-20(15-23(21)27)16-26-31(29,30)24-11-6-18(2)14-19(24)3/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyZDPNKFQTLZRCED-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.29
Rot. Bonds5

About 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102632) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102632
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C)cc4C)cc32)cc1
InChIInChI=1S/C25H26N2O3S/c1-17-4-8-22(9-5-17)25(28)27-13-12-21-10-7-20(15-23(21)27)16-26-31(29,30)24-11-6-18(2)14-19(24)3/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyZDPNKFQTLZRCED-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53102643
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
N-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082998
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082891
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102597
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102632) is 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCc3ccc(CNS(=O)(=O)c4ccc(C)cc4C)cc32)cc1.
What is the InChIKey of 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is ZDPNKFQTLZRCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-17-4-8-22(9-5-17)25(28)27-13-12-21-10-7-20(15-23(21)27)16-26-31(29,30)24-11-6-18(2)14-19(24)3/h4-11,14-15,26H,12-13,16H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 434.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).