1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene

C10H14ClIN2O3S — CID 114261610

IUPAC1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
SMILESCN(CCCO)S(=O)(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C10H14ClIN2O3S/c1-14(5-2-6-15)18(16,17)13-10-7-8(12)3-4-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3
InChIKeyOZLKDADJLXJLIZ-UHFFFAOYSA-N
MW404.66 g/mol
LogP1.92
Rot. Bonds6

About 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene

1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene (PubChem CID 114261610) has the molecular formula C10H14ClIN2O3S and a molecular weight of 404.66 g/mol. Its IUPAC name is 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene.

Molecular Properties

Compound Name1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
PubChem CID114261610
Molecular FormulaC10H14ClIN2O3S
Molecular Weight404.66 g/mol
Exact Mass403.95
IUPAC Name1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
SMILESCN(CCCO)S(=O)(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C10H14ClIN2O3S/c1-14(5-2-6-15)18(16,17)13-10-7-8(12)3-4-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3
InChIKeyOZLKDADJLXJLIZ-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene 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

2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
1,3-dichloro-5-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114132444
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
CID 114260649

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene?
The IUPAC name of 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene (CID 114261610) is 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene.
What is the SMILES notation for 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene?
The canonical SMILES for 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene is CN(CCCO)S(=O)(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene?
The InChIKey is OZLKDADJLXJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O3S/c1-14(5-2-6-15)18(16,17)13-10-7-8(12)3-4-9(10)11/h3-4,7,13,15H,2,5-6H2,1H3.
What are the key properties of 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene?
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene has a molecular weight of 404.66 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene is sourced from PubChem (CID 114261610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).