3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H22FN3O6S2 — CID 24540288

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H22FN3O6S2/c20-14-3-5-15(6-4-14)30(26,27)21-10-9-19(25)22-17-13-16(7-8-18(17)24)31(28,29)23-11-1-2-12-23/h3-8,13,21,24H,1-2,9-12H2,(H,22,25)
InChIKeyMUPUPFHIZMBPLV-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.62
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24540288) has the molecular formula C19H22FN3O6S2 and a molecular weight of 471.53 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID24540288
Molecular FormulaC19H22FN3O6S2
Molecular Weight471.53 g/mol
Exact Mass471.09
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H22FN3O6S2/c20-14-3-5-15(6-4-14)30(26,27)21-10-9-19(25)22-17-13-16(7-8-18(17)24)31(28,29)23-11-1-2-12-23/h3-8,13,21,24H,1-2,9-12H2,(H,22,25)
InChIKeyMUPUPFHIZMBPLV-UHFFFAOYSA-N
XLogP1.62
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 27162235
2,4-difluoro-N-[4-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 24596743
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
N-[3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55649543
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
2-bromo-4-fluoro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 29265094
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 29495929

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 24540288) is 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MUPUPFHIZMBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O6S2/c20-14-3-5-15(6-4-14)30(26,27)21-10-9-19(25)22-17-13-16(7-8-18(17)24)31(28,29)23-11-1-2-12-23/h3-8,13,21,24H,1-2,9-12H2,(H,22,25).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 471.53 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24540288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).