(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

C12H16FN3O3S — CID 61178271

IUPAC(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCCN2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)16-11-7-8(4-5-9(11)13)15-12(17)10-3-2-6-14-10/h4-5,7,10,14,16H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyWCKWIFHOIOFQOV-JTQLQIEISA-N
MW301.34 g/mol
LogP0.89
Rot. Bonds4

About (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61178271) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
PubChem CID61178271
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCCN2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)16-11-7-8(4-5-9(11)13)15-12(17)10-3-2-6-14-10/h4-5,7,10,14,16H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyWCKWIFHOIOFQOV-JTQLQIEISA-N
XLogP0.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378855
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (CID 61178271) is (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)Nc1cc(NC(=O)[C@@H]2CCCN2)ccc1F.
What is the InChIKey of (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WCKWIFHOIOFQOV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-20(18,19)16-11-7-8(4-5-9(11)13)15-12(17)10-3-2-6-14-10/h4-5,7,10,14,16H,2-3,6H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61178271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).