1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide

C18H19ClN2O3S — CID 75357606

IUPAC1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O3S/c1-13(18(22)21-11-10-15-4-2-3-5-17(15)21)20-25(23,24)12-14-6-8-16(19)9-7-14/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1
InChIKeyWKFNQWOACIOPRQ-ZDUSSCGKSA-N
MW378.88 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 75357606) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID75357606
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O3S/c1-13(18(22)21-11-10-15-4-2-3-5-17(15)21)20-25(23,24)12-14-6-8-16(19)9-7-14/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1
InChIKeyWKFNQWOACIOPRQ-ZDUSSCGKSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
CID 100717934
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 110348178
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 110348158
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 92679158
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9356889
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 75357606) is 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is WKFNQWOACIOPRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13(18(22)21-11-10-15-4-2-3-5-17(15)21)20-25(23,24)12-14-6-8-16(19)9-7-14/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 75357606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).