N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

C19H21ClN2O3S — CID 113143849

IUPACN-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H21ClN2O3S/c1-14-12-15-6-3-4-9-18(15)22(14)19(23)10-11-21(26(2,24)25)17-8-5-7-16(20)13-17/h3-9,13-14H,10-12H2,1-2H3
InChIKeyNXKNVGFNYWVEBM-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.47
Rot. Bonds5

About N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide

N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113143849) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113143849
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H21ClN2O3S/c1-14-12-15-6-3-4-9-18(15)22(14)19(23)10-11-21(26(2,24)25)17-8-5-7-16(20)13-17/h3-9,13-14H,10-12H2,1-2H3
InChIKeyNXKNVGFNYWVEBM-UHFFFAOYSA-N
XLogP3.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142657
N-(4-methoxyphenyl)-N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]methanesulfonamide
CID 100548871
N-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-N-(2-methylphenyl)methanesulfonamide
CID 100628004
N-(2-fluorophenyl)-N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]methanesulfonamide
CID 133162392
3-(2,4-dichlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100607219
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113128090
2-[1-(3-chlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112796829
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139993
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113143849) is N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is CC1Cc2ccccc2N1C(=O)CCN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is NXKNVGFNYWVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-12-15-6-3-4-9-18(15)22(14)19(23)10-11-21(26(2,24)25)17-8-5-7-16(20)13-17/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113143849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).