N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide

C14H21ClFNO2S — CID 107329442

IUPACN-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)CCCCCCl
InChIInChI=1S/C14H21ClFNO2S/c1-11-9-13(16)10-12(2)14(11)20(18,19)17(3)8-6-4-5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyXPXUXADBZSBHOH-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.47
Rot. Bonds7

About N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide

N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107329442) has the molecular formula C14H21ClFNO2S and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
PubChem CID107329442
Molecular FormulaC14H21ClFNO2S
Molecular Weight321.85 g/mol
Exact Mass321.10
IUPAC NameN-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)CCCCCCl
InChIInChI=1S/C14H21ClFNO2S/c1-11-9-13(16)10-12(2)14(11)20(18,19)17(3)8-6-4-5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyXPXUXADBZSBHOH-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 107206320
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327646
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 107328384
3-amino-4-fluoro-N-(5-hydroxypentyl)-N,2,6-trimethylbenzenesulfonamide
CID 107326329
N-(5-chloropentyl)-N,2-dimethyl-1H-imidazole-5-sulfonamide
CID 107206469
N-[(3-aminocyclobutyl)methyl]-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329458
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
3-(chloromethyl)-4-fluoro-N,5-dimethyl-N-pentylbenzenesulfonamide
CID 81435105
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
5-amino-4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197641
N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326899
N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide (CID 107329442) is N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(C)CCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is XPXUXADBZSBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFNO2S/c1-11-9-13(16)10-12(2)14(11)20(18,19)17(3)8-6-4-5-7-15/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 321.85 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107329442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).