1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene

C14H19FN2O3S — CID 60813925

IUPAC1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-3-17(4-2)21(19,20)16-14-9-8-12(11-13(14)15)7-5-6-10-18/h8-9,11,16,18H,3-4,6,10H2,1-2H3
InChIKeyYRVIYLTXLSHFLT-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.56
Rot. Bonds6

About 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene

1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene (PubChem CID 60813925) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene
PubChem CID60813925
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene
SMILESCCN(CC)S(=O)(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C14H19FN2O3S/c1-3-17(4-2)21(19,20)16-14-9-8-12(11-13(14)15)7-5-6-10-18/h8-9,11,16,18H,3-4,6,10H2,1-2H3
InChIKeyYRVIYLTXLSHFLT-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene?
The IUPAC name of 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene (CID 60813925) is 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene.
What is the SMILES notation for 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene?
The canonical SMILES for 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene is CCN(CC)S(=O)(=O)Nc1ccc(C#CCCO)cc1F.
What is the InChIKey of 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene?
The InChIKey is YRVIYLTXLSHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-3-17(4-2)21(19,20)16-14-9-8-12(11-13(14)15)7-5-6-10-18/h8-9,11,16,18H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene?
1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene has a molecular weight of 314.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzene is sourced from PubChem (CID 60813925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).