2-cyano-5-fluoro-N-pentylbenzenesulfonamide

C12H15FN2O2S — CID 163812212

IUPAC2-cyano-5-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(F)ccc1C#N
InChIInChI=1S/C12H15FN2O2S/c1-2-3-4-7-15-18(16,17)12-8-11(13)6-5-10(12)9-14/h5-6,8,15H,2-4,7H2,1H3
InChIKeyNOGRJJWCJXSHJB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.17
Rot. Bonds6

About 2-cyano-5-fluoro-N-pentylbenzenesulfonamide

2-cyano-5-fluoro-N-pentylbenzenesulfonamide (PubChem CID 163812212) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyano-5-fluoro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-5-fluoro-N-pentylbenzenesulfonamide
PubChem CID163812212
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name2-cyano-5-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(F)ccc1C#N
InChIInChI=1S/C12H15FN2O2S/c1-2-3-4-7-15-18(16,17)12-8-11(13)6-5-10(12)9-14/h5-6,8,15H,2-4,7H2,1H3
InChIKeyNOGRJJWCJXSHJB-UHFFFAOYSA-N
XLogP2.17
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
4-cyano-3-methyl-N-octylbenzenesulfonamide
CID 106919852
2-[(decylamino)methyl]-4-fluorobenzonitrile
CID 107904517
4-fluoro-2-[(octylamino)methyl]benzonitrile
CID 107904656
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-fluoro-N-pentylbenzenesulfonamide?
The IUPAC name of 2-cyano-5-fluoro-N-pentylbenzenesulfonamide (CID 163812212) is 2-cyano-5-fluoro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-5-fluoro-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-cyano-5-fluoro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(F)ccc1C#N.
What is the InChIKey of 2-cyano-5-fluoro-N-pentylbenzenesulfonamide?
The InChIKey is NOGRJJWCJXSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-2-3-4-7-15-18(16,17)12-8-11(13)6-5-10(12)9-14/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 2-cyano-5-fluoro-N-pentylbenzenesulfonamide?
2-cyano-5-fluoro-N-pentylbenzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-fluoro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 163812212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).