2-chloro-4-fluoro-N-pentylbenzenesulfonamide

C11H15ClFNO2S — CID 3809025

IUPAC2-chloro-4-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyPXJKEBQXLVEBIG-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.95
Rot. Bonds6

About 2-chloro-4-fluoro-N-pentylbenzenesulfonamide

2-chloro-4-fluoro-N-pentylbenzenesulfonamide (PubChem CID 3809025) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-pentylbenzenesulfonamide
PubChem CID3809025
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name2-chloro-4-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyPXJKEBQXLVEBIG-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-methylbenzenesulfonamide
CID 232992
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
4-chloro-N-cycloheptylbenzenesulfonamide
CID 710424
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 3465734
3-Chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 582392
4-Chloro-n-propylbenzenesulfonamide
CID 101302
4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 2440653
2-chloro-N-cyclopentylbenzenesulfonamide
CID 2551988
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 8470189
3-chloro-N-cycloheptylbenzene-1-sulfonamide
CID 2415602
3-chloro-N-methylbenzenesulfonamide
CID 4535700
2-chloro-N,N-dimethylbenzenesulfonamide
CID 20215695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-pentylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-pentylbenzenesulfonamide (CID 3809025) is 2-chloro-4-fluoro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-pentylbenzenesulfonamide?
The InChIKey is PXJKEBQXLVEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-2-3-4-7-14-17(15,16)11-6-5-9(13)8-10(11)12/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-pentylbenzenesulfonamide?
2-chloro-4-fluoro-N-pentylbenzenesulfonamide has a molecular weight of 279.76 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 3809025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).