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

C11H15BrF3N3O2S — CID 106003250

IUPAC4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H15BrF3N3O2S/c1-18(6-2-5-16)21(19,20)17-8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3
InChIKeyAVPUSFQDAYSJNY-UHFFFAOYSA-N
MW390.23 g/mol
LogP2.41
Rot. Bonds6

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

4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene (PubChem CID 106003250) has the molecular formula C11H15BrF3N3O2S and a molecular weight of 390.23 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
PubChem CID106003250
Molecular FormulaC11H15BrF3N3O2S
Molecular Weight390.23 g/mol
Exact Mass389.00
IUPAC Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
SMILESCN(CCCN)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H15BrF3N3O2S/c1-18(6-2-5-16)21(19,20)17-8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3
InChIKeyAVPUSFQDAYSJNY-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 52.41
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
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-4-iodobenzene
CID 114261617
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-ethylbenzene
CID 54952240
1-bromo-4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-fluorobenzene
CID 106067142
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
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-3,5-dichlorobenzene
CID 106058979
N-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]phenyl]acetamide
CID 61456490
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027

Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene (CID 106003250) is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene is CN(CCCN)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene?
The InChIKey is AVPUSFQDAYSJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3O2S/c1-18(6-2-5-16)21(19,20)17-8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,17H,2,5-6,16H2,1H3.
What are the key properties of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene?
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene has a molecular weight of 390.23 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene is sourced from PubChem (CID 106003250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).