N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride

C9H18F2N2O3S — CID 167595475

IUPACN-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride
SMILESCCCCN(F)C(=O)N(CCCC)S(=O)(=O)F
InChIInChI=1S/C9H18F2N2O3S/c1-3-5-7-12(10)9(14)13(8-6-4-2)17(11,15)16/h3-8H2,1-2H3
InChIKeyBNTIUXBIOWWWAE-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.41
Rot. Bonds7

About N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride

N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride (PubChem CID 167595475) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride
PubChem CID167595475
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride
SMILESCCCCN(F)C(=O)N(CCCC)S(=O)(=O)F
InChIInChI=1S/C9H18F2N2O3S/c1-3-5-7-12(10)9(14)13(8-6-4-2)17(11,15)16/h3-8H2,1-2H3
InChIKeyBNTIUXBIOWWWAE-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methylsulfonylacetamide
CID 45377177
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
butyl(propan-2-yl)carbamic acid
CID 87287717
N-butyl-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 87858972
[butyl(carbamothioyl)sulfamoyl]methanethioamide
CID 175309800
tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
N,N-dipentylethanesulfonamide
CID 3453334
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
tris(N-butyl-N-fluorobutan-1-amine);phosphoric acid
CID 175403911
2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
1-butyl-1-(chloromethyl)-3,3-dimethylurea
CID 21398164
2-(didodecylamino)-1,1-difluoro-2-oxoethanesulfonyl fluoride
CID 164590098

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride?
The IUPAC name of N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride (CID 167595475) is N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride.
What is the SMILES notation for N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride?
The canonical SMILES for N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride is CCCCN(F)C(=O)N(CCCC)S(=O)(=O)F.
What is the InChIKey of N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride?
The InChIKey is BNTIUXBIOWWWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c1-3-5-7-12(10)9(14)13(8-6-4-2)17(11,15)16/h3-8H2,1-2H3.
What are the key properties of N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride?
N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride has a molecular weight of 272.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[butyl(fluoro)carbamoyl]sulfamoyl fluoride is sourced from PubChem (CID 167595475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).