N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide

C14H13IN2O2S — CID 28976761

IUPACN-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13IN2O2S/c15-11-1-3-12(4-2-11)17-20(18,19)13-5-6-14-10(9-13)7-8-16-14/h1-6,9,16-17H,7-8H2
InChIKeyGVMIGLBQOJDLEH-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.06
Rot. Bonds3

About N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 28976761) has the molecular formula C14H13IN2O2S and a molecular weight of 400.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID28976761
Molecular FormulaC14H13IN2O2S
Molecular Weight400.24 g/mol
Exact Mass399.97
IUPAC NameN-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H13IN2O2S/c15-11-1-3-12(4-2-11)17-20(18,19)13-5-6-14-10(9-13)7-8-16-14/h1-6,9,16-17H,7-8H2
InChIKeyGVMIGLBQOJDLEH-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-2,3-dihydro-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-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107605731
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107626863
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 81281250
N-pyrazin-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43616214
N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 29080528
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 90701518

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 28976761) is N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(Nc1ccc(I)cc1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is GVMIGLBQOJDLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2S/c15-11-1-3-12(4-2-11)17-20(18,19)13-5-6-14-10(9-13)7-8-16-14/h1-6,9,16-17H,7-8H2.
What are the key properties of N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 400.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 28976761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).