2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

C12H16ClFN2O2S — CID 63299481

IUPAC2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-2-16(10-5-6-15-8-10)19(17,18)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyUEWLJYCCRZHMAM-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide

2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 63299481) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID63299481
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c1-2-16(10-5-6-15-8-10)19(17,18)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyUEWLJYCCRZHMAM-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
CID 63636247
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide (CID 63299481) is 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is UEWLJYCCRZHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-2-16(10-5-6-15-8-10)19(17,18)12-4-3-9(14)7-11(12)13/h3-4,7,10,15H,2,5-6,8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide?
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63299481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).