N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide

C11H14F2N2O3S — CID 65420037

IUPACN-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)C1CCNC1
InChIInChI=1S/C11H14F2N2O3S/c12-11(13)18-10-4-2-1-3-9(10)15-19(16,17)8-5-6-14-7-8/h1-4,8,11,14-15H,5-7H2
InChIKeyVHPSEGQLLGFISL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide

N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide (PubChem CID 65420037) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide
PubChem CID65420037
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)C1CCNC1
InChIInChI=1S/C11H14F2N2O3S/c12-11(13)18-10-4-2-1-3-9(10)15-19(16,17)8-5-6-14-7-8/h1-4,8,11,14-15H,5-7H2
InChIKeyVHPSEGQLLGFISL-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)piperidine-3-sulfonamide
CID 24690815
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-(2-tert-butylphenyl)pyrrolidine-3-sulfonamide
CID 65418123
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422631
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-(2-bromophenyl)piperidine-3-sulfonamide
CID 54974199
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
9-[2-(difluoromethoxy)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719757

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide (CID 65420037) is N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide is O=S(=O)(Nc1ccccc1OC(F)F)C1CCNC1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide?
The InChIKey is VHPSEGQLLGFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-11(13)18-10-4-2-1-3-9(10)15-19(16,17)8-5-6-14-7-8/h1-4,8,11,14-15H,5-7H2.
What are the key properties of N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide?
N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide has a molecular weight of 292.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65420037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).