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

C22H19ClN2O3S — CID 53092575

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H19ClN2O3S/c23-19-9-7-17(8-10-19)22(26)25-13-12-18-14-16(6-11-21(18)25)15-24-29(27,28)20-4-2-1-3-5-20/h1-11,14,24H,12-13,15H2
InChIKeyIIPHGCXCQGCBCV-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.02
Rot. Bonds5

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

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide (PubChem CID 53092575) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
PubChem CID53092575
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C22H19ClN2O3S/c23-19-9-7-17(8-10-19)22(26)25-13-12-18-14-16(6-11-21(18)25)15-24-29(27,28)20-4-2-1-3-5-20/h1-11,14,24H,12-13,15H2
InChIKeyIIPHGCXCQGCBCV-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
3-chloro-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092691
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
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-6-yl]methyl]propane-1-sulfonamide
CID 53102502
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
CID 53102511

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide (CID 53092575) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide is O=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide?
The InChIKey is IIPHGCXCQGCBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-19-9-7-17(8-10-19)22(26)25-13-12-18-14-16(6-11-21(18)25)15-24-29(27,28)20-4-2-1-3-5-20/h1-11,14,24H,12-13,15H2.
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53092575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).