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

C11H17BrClN3O2S — CID 106056678

IUPAC4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H17BrClN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyCMZKGHGGQLVUDW-UHFFFAOYSA-N
MW370.70 g/mol
LogP2.30
Rot. Bonds7

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

4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106056678) has the molecular formula C11H17BrClN3O2S and a molecular weight of 370.70 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106056678
Molecular FormulaC11H17BrClN3O2S
Molecular Weight370.70 g/mol
Exact Mass368.99
IUPAC Name4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H17BrClN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,3,6-7H2,1-2H3
InChIKeyCMZKGHGGQLVUDW-UHFFFAOYSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 52.30
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

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106088483
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
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
1-chloro-2-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-iodobenzene
CID 114261610
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-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106056678) is 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is CMZKGHGGQLVUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3O2S/c1-14-6-3-7-16(2)19(17,18)15-11-8-9(12)4-5-10(11)13/h4-5,8,14-15H,3,6-7H2,1-2H3.
What are the key properties of 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 370.70 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106056678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).