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

C14H12ClIN2O2S — CID 107626835

IUPACN-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H12ClIN2O2S/c15-11-2-4-14(13(16)6-11)18-21(19,20)12-3-1-9-7-17-8-10(9)5-12/h1-6,17-18H,7-8H2
InChIKeyHSGQOXOPNVEXFQ-UHFFFAOYSA-N
MW434.69 g/mol
LogP3.35
Rot. Bonds3

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

N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107626835) has the molecular formula C14H12ClIN2O2S and a molecular weight of 434.69 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
PubChem CID107626835
Molecular FormulaC14H12ClIN2O2S
Molecular Weight434.69 g/mol
Exact Mass433.94
IUPAC NameN-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H12ClIN2O2S/c15-11-2-4-14(13(16)6-11)18-21(19,20)12-3-1-9-7-17-8-10(9)5-12/h1-6,17-18H,7-8H2
InChIKeyHSGQOXOPNVEXFQ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
N-(4-chloro-2-iodophenyl)-2-deuterio-1,3-benzothiazole-6-sulfonamide
CID 146309108
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143
N-pyrimidin-5-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107589026
N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide
CID 107626790
N-(4-chloro-2-iodophenyl)-5-fluoropyridine-3-sulfonamide
CID 103763977
N-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422470

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107626835) is N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1I)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
The InChIKey is HSGQOXOPNVEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2S/c15-11-2-4-14(13(16)6-11)18-21(19,20)12-3-1-9-7-17-8-10(9)5-12/h1-6,17-18H,7-8H2.
What are the key properties of N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 434.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107626835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).