1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene

C13H22FN3O2S — CID 114813771

IUPAC1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
SMILESCC(C)CNS(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H22FN3O2S/c1-11(2)10-16-20(18,19)17(9-3-8-15)13-6-4-12(14)5-7-13/h4-7,11,16H,3,8-10,15H2,1-2H3
InChIKeyVDXDPXWIDVOLSG-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.47
Rot. Bonds8

About 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene

1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene (PubChem CID 114813771) has the molecular formula C13H22FN3O2S and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene.

Molecular Properties

Compound Name1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
PubChem CID114813771
Molecular FormulaC13H22FN3O2S
Molecular Weight303.40 g/mol
Exact Mass303.14
IUPAC Name1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
SMILESCC(C)CNS(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H22FN3O2S/c1-11(2)10-16-20(18,19)17(9-3-8-15)13-6-4-12(14)5-7-13/h4-7,11,16H,3,8-10,15H2,1-2H3
InChIKeyVDXDPXWIDVOLSG-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
N-(3-aminopropyl)-N-(4-methylphenyl)propane-2-sulfonamide
CID 60859443
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide
CID 90121629
1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane
CID 114813873
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
CID 114803326
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N-(3-aminopropyl)-1,1-difluoro-N-(3-fluorophenyl)methanesulfonamide
CID 43136203

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene?
The IUPAC name of 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene (CID 114813771) is 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene.
What is the SMILES notation for 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene?
The canonical SMILES for 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene is CC(C)CNS(=O)(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene?
The InChIKey is VDXDPXWIDVOLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O2S/c1-11(2)10-16-20(18,19)17(9-3-8-15)13-6-4-12(14)5-7-13/h4-7,11,16H,3,8-10,15H2,1-2H3.
What are the key properties of 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene?
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene has a molecular weight of 303.40 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene is sourced from PubChem (CID 114813771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).