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

C14H12ClIN2O2S — CID 107605731

IUPACN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClIN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyLFQQDSDRQHVVGD-UHFFFAOYSA-N
MW434.69 g/mol
LogP3.71
Rot. Bonds3

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

N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 107605731) has the molecular formula C14H12ClIN2O2S and a molecular weight of 434.69 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID107605731
Molecular FormulaC14H12ClIN2O2S
Molecular Weight434.69 g/mol
Exact Mass433.94
IUPAC NameN-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H12ClIN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2
InChIKeyLFQQDSDRQHVVGD-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 29080528
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107606873
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 81281250
N-(2-chloro-4-iodophenyl)-4-methylbenzenesulfonamide
CID 39875442
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107626863
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
3-amino-N-(2-chloro-4-iodophenyl)-4-ethylbenzenesulfonamide
CID 107605493
N-(2-chloro-4-iodophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 107605710
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-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 107605731) is N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is LFQQDSDRQHVVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2S/c15-12-8-10(16)1-3-14(12)18-21(19,20)11-2-4-13-9(7-11)5-6-17-13/h1-4,7-8,17-18H,5-6H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 434.69 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 107605731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).