N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide

C10H12ClFN2O2S — CID 114285118

IUPACN-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Cl)C1CCNC1
InChIInChI=1S/C10H12ClFN2O2S/c11-9-2-1-7(12)5-10(9)14-17(15,16)8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyJCZVITKWDPBKCR-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.58
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide

N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide (PubChem CID 114285118) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
PubChem CID114285118
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC NameN-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Cl)C1CCNC1
InChIInChI=1S/C10H12ClFN2O2S/c11-9-2-1-7(12)5-10(9)14-17(15,16)8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2
InChIKeyJCZVITKWDPBKCR-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-(2-chlorophenyl)piperidine-3-sulfonamide
CID 54973700
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 65420037
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422631
(3R)-3-(2-chloro-5-fluorophenyl)pyrrolidine
CID 96760582

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide (CID 114285118) is N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide is O=S(=O)(Nc1cc(F)ccc1Cl)C1CCNC1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide?
The InChIKey is JCZVITKWDPBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-9-2-1-7(12)5-10(9)14-17(15,16)8-3-4-13-6-8/h1-2,5,8,13-14H,3-4,6H2.
What are the key properties of N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide?
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide has a molecular weight of 278.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 114285118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).