N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide

C15H20FN3O3S — CID 119797457

IUPACN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20FN3O3S/c16-13-6-5-12(18-15(20)9-11-2-1-7-17-11)8-14(13)23(21,22)19-10-3-4-10/h5-6,8,10-11,17,19H,1-4,7,9H2,(H,18,20)
InChIKeyUGLNGHRBEPDCAY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.35
Rot. Bonds6

About N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119797457) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119797457
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20FN3O3S/c16-13-6-5-12(18-15(20)9-11-2-1-7-17-11)8-14(13)23(21,22)19-10-3-4-10/h5-6,8,10-11,17,19H,1-4,7,9H2,(H,18,20)
InChIKeyUGLNGHRBEPDCAY-UHFFFAOYSA-N
XLogP1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
CID 119798990
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-bromo-4-iodophenyl)-2-pyrrolidin-2-ylacetamide
CID 113266600
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide (CID 119797457) is N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UGLNGHRBEPDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c16-13-6-5-12(18-15(20)9-11-2-1-7-17-11)8-14(13)23(21,22)19-10-3-4-10/h5-6,8,10-11,17,19H,1-4,7,9H2,(H,18,20).
What are the key properties of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119797457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).