1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene

C14H22FN3O2S — CID 106031029

IUPAC1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)c(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11-4-7-14(13(15)10-11)17-21(19,20)18(2)9-3-8-16-12-5-6-12/h4,7,10,12,16-17H,3,5-6,8-9H2,1-2H3
InChIKeyKOSKHPLIHMEVEX-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.86
Rot. Bonds8

About 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene

1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene (PubChem CID 106031029) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
PubChem CID106031029
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene
SMILESCc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)c(F)c1
InChIInChI=1S/C14H22FN3O2S/c1-11-4-7-14(13(15)10-11)17-21(19,20)18(2)9-3-8-16-12-5-6-12/h4,7,10,12,16-17H,3,5-6,8-9H2,1-2H3
InChIKeyKOSKHPLIHMEVEX-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.86
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

1-bromo-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-fluorobenzene
CID 106087475
2-bromo-4-chloro-1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]benzene
CID 106073444
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-4-methylsulfanylbenzene
CID 106057758
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-2,4-dimethylbenzene
CID 114132823
3-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridazine
CID 106084052
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5-methyl-1,3-thiazole
CID 106060914
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-bromo-2-fluorobenzene
CID 114141108
3-chloro-2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]pyridine
CID 106086534
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 106053324
2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]-6-methylpyridine
CID 106054981
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene?
The IUPAC name of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene (CID 106031029) is 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene.
What is the SMILES notation for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene?
The canonical SMILES for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene is Cc1ccc(NS(=O)(=O)N(C)CCCNC2CC2)c(F)c1.
What is the InChIKey of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene?
The InChIKey is KOSKHPLIHMEVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11-4-7-14(13(15)10-11)17-21(19,20)18(2)9-3-8-16-12-5-6-12/h4,7,10,12,16-17H,3,5-6,8-9H2,1-2H3.
What are the key properties of 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene?
1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene has a molecular weight of 315.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]-2-fluoro-4-methylbenzene is sourced from PubChem (CID 106031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).