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

C11H17ClFN3O2S — CID 106088483

IUPAC1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H17ClFN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(13)4-5-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyJCJRKEYFVDDMBA-UHFFFAOYSA-N
MW309.79 g/mol
LogP1.68
Rot. Bonds7

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

1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106088483) has the molecular formula C11H17ClFN3O2S and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106088483
Molecular FormulaC11H17ClFN3O2S
Molecular Weight309.79 g/mol
Exact Mass309.07
IUPAC Name1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H17ClFN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(13)4-5-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyJCJRKEYFVDDMBA-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106056678
1,2,4-trichloro-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106057712
2-chloro-4-iodo-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106006630
1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106058043
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106088483) is 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is JCJRKEYFVDDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(13)4-5-10(11)12/h4-5,8,14-15H,3,6-7H2,1-2H3.
What are the key properties of 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 309.79 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106088483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).