(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide

C17H17ClN2O3S — CID 9188688

IUPAC(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-15-10-14(5-6-16(15)20-17(11)21)24(22,23)19-8-7-12-3-2-4-13(18)9-12/h2-6,9-11,19H,7-8H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyPAPUFWYIMJSNRZ-NSHDSACASA-N
MW364.85 g/mol
LogP2.92
Rot. Bonds5

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

(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188688) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9188688
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H17ClN2O3S/c1-11-15-10-14(5-6-16(15)20-17(11)21)24(22,23)19-8-7-12-3-2-4-13(18)9-12/h2-6,9-11,19H,7-8H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyPAPUFWYIMJSNRZ-NSHDSACASA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-[2-(4-chlorophenyl)ethyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516487
(3R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188708
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186449
(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187706
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 66165853
N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550200
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107650102

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9188688) is (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCCc3cccc(Cl)c3)cc21.
What is the InChIKey of (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is PAPUFWYIMJSNRZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-15-10-14(5-6-16(15)20-17(11)21)24(22,23)19-8-7-12-3-2-4-13(18)9-12/h2-6,9-11,19H,7-8H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).