2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide

C10H7F4NO3S — CID 18191895

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C10H7F4NO3S/c1-3-4-15-19(16,17)10-7(13)5(11)9(18-2)6(12)8(10)14/h1,15H,4H2,2H3
InChIKeyZVFWIQFZYJYKBD-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.16
Rot. Bonds4

About 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide

2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide (PubChem CID 18191895) has the molecular formula C10H7F4NO3S and a molecular weight of 297.23 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
PubChem CID18191895
Molecular FormulaC10H7F4NO3S
Molecular Weight297.23 g/mol
Exact Mass297.01
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F
InChIInChI=1S/C10H7F4NO3S/c1-3-4-15-19(16,17)10-7(13)5(11)9(18-2)6(12)8(10)14/h1,15H,4H2,2H3
InChIKeyZVFWIQFZYJYKBD-UHFFFAOYSA-N
XLogP1.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18191791
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,3,5,6-tetrafluoro-4-methoxybenzenesulfonamide
CID 18191926
4-fluoro-2,6-dimethyl-3-nitro-N-prop-2-ynylbenzenesulfonamide
CID 107326630
2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 18191910
4-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 113306303
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 141000162
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
2-bromo-6-chloro-N-prop-2-ynylbenzenesulfonamide
CID 130506038
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide (CID 18191895) is 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is ZVFWIQFZYJYKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO3S/c1-3-4-15-19(16,17)10-7(13)5(11)9(18-2)6(12)8(10)14/h1,15H,4H2,2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide?
2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 297.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 18191895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).