4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide

C19H24ClN3O2S — CID 40828857

IUPAC4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N(C)C)ccc21
InChIInChI=1S/C19H24ClN3O2S/c1-22(2)19(14-4-9-18-15(12-14)10-11-23(18)3)13-21-26(24,25)17-7-5-16(20)6-8-17/h4-9,12,19,21H,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyMDKZLJKFOBYKSG-LJQANCHMSA-N
MW393.94 g/mol
LogP2.91
Rot. Bonds6

About 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide

4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide (PubChem CID 40828857) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
PubChem CID40828857
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
SMILESCN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N(C)C)ccc21
InChIInChI=1S/C19H24ClN3O2S/c1-22(2)19(14-4-9-18-15(12-14)10-11-23(18)3)13-21-26(24,25)17-7-5-16(20)6-8-17/h4-9,12,19,21H,10-11,13H2,1-3H3/t19-/m1/s1
InChIKeyMDKZLJKFOBYKSG-LJQANCHMSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40828862
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 51444985
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-4-methylbenzenesulfonamide
CID 90582352
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582387
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]naphthalene-1-sulfonamide
CID 16907075
4-fluoro-3-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 16907640
4-fluoro-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 40828975
4-methoxy-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16907810
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30578528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide (CID 40828857) is 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide is CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)cc3)N(C)C)ccc21.
What is the InChIKey of 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is MDKZLJKFOBYKSG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-22(2)19(14-4-9-18-15(12-14)10-11-23(18)3)13-21-26(24,25)17-7-5-16(20)6-8-17/h4-9,12,19,21H,10-11,13H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 40828857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).