1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene

C10H15BrFN3O2S — CID 114141108

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H15BrFN3O2S/c1-15(6-2-5-13)18(16,17)14-10-4-3-8(11)7-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyJZZOLBGHURKIHP-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.53
Rot. Bonds6

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene (PubChem CID 114141108) has the molecular formula C10H15BrFN3O2S and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
PubChem CID114141108
Molecular FormulaC10H15BrFN3O2S
Molecular Weight340.22 g/mol
Exact Mass339.01
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H15BrFN3O2S/c1-15(6-2-5-13)18(16,17)14-10-4-3-8(11)7-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3
InChIKeyJZZOLBGHURKIHP-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,4-dibromobenzene
CID 106007389
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-1-chlorobenzene
CID 114141037
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2,3,4-trifluorobenzene
CID 61456312
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-fluoro-2-iodobenzene
CID 114261612
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-bromopyridine
CID 106076050
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxybenzene
CID 54952343
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene (CID 114141108) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene is CN(CCCN)S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene?
The InChIKey is JZZOLBGHURKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3O2S/c1-15(6-2-5-13)18(16,17)14-10-4-3-8(11)7-9(10)12/h3-4,7,14H,2,5-6,13H2,1H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene has a molecular weight of 340.22 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene is sourced from PubChem (CID 114141108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).