4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide

C14H21FN2O2S — CID 107326180

IUPAC4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CCNC1
InChIInChI=1S/C14H21FN2O2S/c1-9-6-13(15)7-10(2)14(9)20(18,19)17-11(3)12-4-5-16-8-12/h6-7,11-12,16-17H,4-5,8H2,1-3H3
InChIKeyRNLNESVEVZDIPL-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.72
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 107326180) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID107326180
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CCNC1
InChIInChI=1S/C14H21FN2O2S/c1-9-6-13(15)7-10(2)14(9)20(18,19)17-11(3)12-4-5-16-8-12/h6-7,11-12,16-17H,4-5,8H2,1-3H3
InChIKeyRNLNESVEVZDIPL-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 103976987
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2-methyl-N-(1-pyrrolidin-3-ylethyl)pyrazole-3-sulfonamide
CID 104709488
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
6-methyl-N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120874806
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 107326180) is 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)C1CCNC1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is RNLNESVEVZDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-6-13(15)7-10(2)14(9)20(18,19)17-11(3)12-4-5-16-8-12/h6-7,11-12,16-17H,4-5,8H2,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 107326180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).