1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

C18H19ClN2O3S — CID 51130845

IUPAC1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20-25(23,24)16-6-7-17-14(12-16)9-10-21(17)18(22)8-5-13-3-2-4-15(19)11-13/h2-4,6-7,11-12,20H,5,8-10H2,1H3
InChIKeyFCPWUZGQIDDFCH-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.77
Rot. Bonds5

About 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide

1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 51130845) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID51130845
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20-25(23,24)16-6-7-17-14(12-16)9-10-21(17)18(22)8-5-13-3-2-4-15(19)11-13/h2-4,6-7,11-12,20H,5,8-10H2,1H3
InChIKeyFCPWUZGQIDDFCH-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 60612946
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
3-chloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 18367176
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 44599035
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546
ethyl 4-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 58078399

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 51130845) is 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FCPWUZGQIDDFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-20-25(23,24)16-6-7-17-14(12-16)9-10-21(17)18(22)8-5-13-3-2-4-15(19)11-13/h2-4,6-7,11-12,20H,5,8-10H2,1H3.
What are the key properties of 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 378.88 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)propanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51130845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).