N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide

C19H21ClN2O3S — CID 53102502

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H21ClN2O3S/c1-2-11-26(24,25)21-13-14-3-4-15-9-10-22(18(15)12-14)19(23)16-5-7-17(20)8-6-16/h3-8,12,21H,2,9-11,13H2,1H3
InChIKeyGDDYDKUROSSUOZ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.37
Rot. Bonds6

About N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide (PubChem CID 53102502) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
PubChem CID53102502
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C19H21ClN2O3S/c1-2-11-26(24,25)21-13-14-3-4-15-9-10-22(18(15)12-14)19(23)16-5-7-17(20)8-6-16/h3-8,12,21H,2,9-11,13H2,1H3
InChIKeyGDDYDKUROSSUOZ-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
CID 53102511
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
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
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099451

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide (CID 53102502) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The InChIKey is GDDYDKUROSSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-11-26(24,25)21-13-14-3-4-15-9-10-22(18(15)12-14)19(23)16-5-7-17(20)8-6-16/h3-8,12,21H,2,9-11,13H2,1H3.
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.37, 6 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-6-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 53102502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).