N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide

C18H15Cl2N3O3S — CID 15523744

IUPACN-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2
InChIInChI=1S/C18H15Cl2N3O3S/c19-18(20)15-11-14(7-8-16(15)22-17(18)24)27(25,26)23(10-4-9-21)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2,(H,22,24)
InChIKeyLIFCNRHSSLSSSF-UHFFFAOYSA-N
MW424.31 g/mol
LogP3.37
Rot. Bonds6

About N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide

N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide (PubChem CID 15523744) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide
PubChem CID15523744
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC NameN-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2
InChIInChI=1S/C18H15Cl2N3O3S/c19-18(20)15-11-14(7-8-16(15)22-17(18)24)27(25,26)23(10-4-9-21)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2,(H,22,24)
InChIKeyLIFCNRHSSLSSSF-UHFFFAOYSA-N
XLogP3.37
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide 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-benzyl-N-(2-cyanoethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23853525
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188424
N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N-benzyl-N-methyl-2'-oxospiro[1,3-dioxane-2,3'-1H-indole]-5'-sulfonamide
CID 58932585
3-chloro-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 3731501
4-(bromomethyl)-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 65479793
N,N-dibenzyl-7-bromonaphthalene-2-sulfonamide
CID 44550989
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47006481
N-(2-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide (CID 15523744) is N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide is N#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2.
What is the InChIKey of N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is LIFCNRHSSLSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c19-18(20)15-11-14(7-8-16(15)22-17(18)24)27(25,26)23(10-4-9-21)12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2,(H,22,24).
What are the key properties of N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide?
N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 424.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dichloro-N-(2-cyanoethyl)-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 15523744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).