N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide

C19H22N2O3S — CID 26769525

IUPACN,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-20(2)25(23,24)17-9-10-18-16(14-17)12-13-21(18)19(22)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3
InChIKeyHPNIFESQZMXIDO-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.46
Rot. Bonds5

About N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 26769525) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID26769525
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-20(2)25(23,24)17-9-10-18-16(14-17)12-13-21(18)19(22)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3
InChIKeyHPNIFESQZMXIDO-UHFFFAOYSA-N
XLogP2.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-benzyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 53025606
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
4-chloro-N-[3-[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]benzamide
CID 26769862
1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 51130845
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
5-(diethylsulfamoyl)-N-ethyl-N-(3-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 118398529

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide (CID 26769525) is N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HPNIFESQZMXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-20(2)25(23,24)17-9-10-18-16(14-17)12-13-21(18)19(22)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26769525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).