N-diazo-3,3,3-trifluoropropane-1-sulfonamide

C3H4F3N3O2S — CID 150037607

IUPACN-diazo-3,3,3-trifluoropropane-1-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C3H4F3N3O2S/c4-3(5,6)1-2-12(10,11)9-8-7/h1-2H2
InChIKeyDIPAKBQLKNGAHZ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.58
Rot. Bonds3

About N-diazo-3,3,3-trifluoropropane-1-sulfonamide

N-diazo-3,3,3-trifluoropropane-1-sulfonamide (PubChem CID 150037607) has the molecular formula C3H4F3N3O2S and a molecular weight of 203.14 g/mol. Its IUPAC name is N-diazo-3,3,3-trifluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-diazo-3,3,3-trifluoropropane-1-sulfonamide
PubChem CID150037607
Molecular FormulaC3H4F3N3O2S
Molecular Weight203.14 g/mol
Exact Mass203.00
IUPAC NameN-diazo-3,3,3-trifluoropropane-1-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C3H4F3N3O2S/c4-3(5,6)1-2-12(10,11)9-8-7/h1-2H2
InChIKeyDIPAKBQLKNGAHZ-UHFFFAOYSA-N
XLogP1.58
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazononane-1-sulfonamide
CID 21453350
sulfuryl diazide
CID 15191028
methyl 2-azidosulfonyl-2,2-difluoroacetate
CID 12916791
N-diazo-2-(oxiran-2-ylmethoxy)ethanesulfonamide
CID 57207034
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
N-diazo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonamide
CID 18471548
CID 87370318
CID 87370318
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
1-azido-1,1,2,2,3,3,4,4,5,5,9,9,9-tridecafluorononane
CID 89422665
N-diazo-5-(2,5-dioxopyrrol-3-yl)pentane-1-sulfonamide
CID 88712729
ethoxyethane;sulfuryl diazide
CID 174776903
[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]methanol
CID 67249606

Frequently Asked Questions

What is the IUPAC name of N-diazo-3,3,3-trifluoropropane-1-sulfonamide?
The IUPAC name of N-diazo-3,3,3-trifluoropropane-1-sulfonamide (CID 150037607) is N-diazo-3,3,3-trifluoropropane-1-sulfonamide.
What is the SMILES notation for N-diazo-3,3,3-trifluoropropane-1-sulfonamide?
The canonical SMILES for N-diazo-3,3,3-trifluoropropane-1-sulfonamide is [N-]=[N+]=NS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-diazo-3,3,3-trifluoropropane-1-sulfonamide?
The InChIKey is DIPAKBQLKNGAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N3O2S/c4-3(5,6)1-2-12(10,11)9-8-7/h1-2H2.
What are the key properties of N-diazo-3,3,3-trifluoropropane-1-sulfonamide?
N-diazo-3,3,3-trifluoropropane-1-sulfonamide has a molecular weight of 203.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-3,3,3-trifluoropropane-1-sulfonamide is sourced from PubChem (CID 150037607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).