2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

C11H17ClIN3O2S — CID 106006630

IUPAC2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H17ClIN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyVTBXLGPXVOFEKA-UHFFFAOYSA-N
MW417.70 g/mol
LogP2.14
Rot. Bonds7

About 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106006630) has the molecular formula C11H17ClIN3O2S and a molecular weight of 417.70 g/mol. Its IUPAC name is 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106006630
Molecular FormulaC11H17ClIN3O2S
Molecular Weight417.70 g/mol
Exact Mass416.98
IUPAC Name2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H17ClIN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyVTBXLGPXVOFEKA-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.70
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1,2-difluoro-3-(2-fluoro-4-iodoanilino)-4-[[methyl-[2-(methylamino)ethyl]sulfamoyl]amino]benzene
CID 11591614
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene
CID 106057683
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]quinoline
CID 106057892
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106006630) is 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is VTBXLGPXVOFEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClIN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 417.70 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106006630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).