CID 89316653

C14H17BFNO2S — CID 89316653

IUPAC—
SMILES[B]C(=C)CN(CCCC=C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17BFNO2S/c1-3-4-5-10-17(11-12(2)15)20(18,19)14-8-6-13(16)7-9-14/h3,6-9H,1-2,4-5,10-11H2
InChIKeyPTNZKQYLVLYLFV-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds8

About CID 89316653

CID 89316653 (PubChem CID 89316653) has the molecular formula C14H17BFNO2S and a molecular weight of 293.17 g/mol.

Molecular Properties

Compound NameCID 89316653
PubChem CID89316653
Molecular FormulaC14H17BFNO2S
Molecular Weight293.17 g/mol
Exact Mass293.11
IUPAC Name—
SMILES[B]C(=C)CN(CCCC=C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17BFNO2S/c1-3-4-5-10-17(11-12(2)15)20(18,19)14-8-6-13(16)7-9-14/h3,6-9H,1-2,4-5,10-11H2
InChIKeyPTNZKQYLVLYLFV-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide
CID 16723589
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
ethyl 2-[(4-nitrophenyl)sulfonyl-pent-4-enylamino]acetate
CID 11111061
2-[but-3-enyl-(4-methylphenyl)sulfonylamino]acetyl chloride
CID 102026014
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
N-but-2-ynyl-N-hex-5-enyl-4-methylbenzenesulfonamide
CID 101013408
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 163210393

Frequently Asked Questions

What is the IUPAC name of CID 89316653?
The IUPAC name of CID 89316653 (CID 89316653) is not available.
What is the SMILES notation for CID 89316653?
The canonical SMILES for CID 89316653 is [B]C(=C)CN(CCCC=C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of CID 89316653?
The InChIKey is PTNZKQYLVLYLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BFNO2S/c1-3-4-5-10-17(11-12(2)15)20(18,19)14-8-6-13(16)7-9-14/h3,6-9H,1-2,4-5,10-11H2.
What are the key properties of CID 89316653?
CID 89316653 has a molecular weight of 293.17 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89316653 is sourced from PubChem (CID 89316653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).