4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide

C17H14Cl4N2O2S — CID 1254421

IUPAC4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21
InChIInChI=1S/C17H14Cl4N2O2S/c1-23-10-14(13-4-2-3-5-15(13)23)16(17(19,20)21)22-26(24,25)12-8-6-11(18)7-9-12/h2-10,16,22H,1H3/t16-/m1/s1
InChIKeyGTIMHWQAGLUSOG-MRXNPFEDSA-N
MW452.19 g/mol
LogP5.22
Rot. Bonds4

About 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide (PubChem CID 1254421) has the molecular formula C17H14Cl4N2O2S and a molecular weight of 452.19 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide
PubChem CID1254421
Molecular FormulaC17H14Cl4N2O2S
Molecular Weight452.19 g/mol
Exact Mass449.95
IUPAC Name4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide
SMILESCn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21
InChIInChI=1S/C17H14Cl4N2O2S/c1-23-10-14(13-4-2-3-5-15(13)23)16(17(19,20)21)22-26(24,25)12-8-6-11(18)7-9-12/h2-10,16,22H,1H3/t16-/m1/s1
InChIKeyGTIMHWQAGLUSOG-MRXNPFEDSA-N
XLogP5.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.19
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide 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-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
4-chloro-N-[2,2,2-trichloro-1-(5-fluoro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 139004840
methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
CID 71796934
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166
1,1-bis(4-chlorophenyl)-2-(1-methylindol-3-yl)ethane-1,2-diol
CID 102266914
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 71780339
N-[(1S)-2,2,2-trichloro-1-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 1117505
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 97414114
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
CID 90490875
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide (CID 1254421) is 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide is Cn1cc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)c2ccccc21.
What is the InChIKey of 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is GTIMHWQAGLUSOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14Cl4N2O2S/c1-23-10-14(13-4-2-3-5-15(13)23)16(17(19,20)21)22-26(24,25)12-8-6-11(18)7-9-12/h2-10,16,22H,1H3/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 452.19 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2,2,2-trichloro-1-(1-methylindol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1254421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).