3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide

C18H21ClN2O3S — CID 90582403

IUPAC3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21ClN2O3S/c1-12-15(19)4-3-5-18(12)25(23,24)20-11-17(22)14-6-7-16-13(10-14)8-9-21(16)2/h3-7,10,17,20,22H,8-9,11H2,1-2H3
InChIKeyGLPBNJMXJCURNT-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.65
Rot. Bonds5

About 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide

3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 90582403) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID90582403
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C18H21ClN2O3S/c1-12-15(19)4-3-5-18(12)25(23,24)20-11-17(22)14-6-7-16-13(10-14)8-9-21(16)2/h3-7,10,17,20,22H,8-9,11H2,1-2H3
InChIKeyGLPBNJMXJCURNT-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-4-methylbenzenesulfonamide
CID 90582352
4-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582373
2,4-difluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582385
4-acetyl-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582387
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90582457
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582324
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 122244303
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 30578797
4-ethoxy-3-fluoro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 90582429

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide (CID 90582403) is 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is GLPBNJMXJCURNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-15(19)4-3-5-18(12)25(23,24)20-11-17(22)14-6-7-16-13(10-14)8-9-21(16)2/h3-7,10,17,20,22H,8-9,11H2,1-2H3.
What are the key properties of 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 90582403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).