2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide

C13H14FN3O3S2 — CID 110502528

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H14FN3O3S2/c1-2-11(12(18)16-13-15-7-8-21-13)17-22(19,20)10-5-3-9(14)4-6-10/h3-8,11,17H,2H2,1H3,(H,15,16,18)
InChIKeySRFLEVIBUTUGJX-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.98
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 110502528) has the molecular formula C13H14FN3O3S2 and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID110502528
Molecular FormulaC13H14FN3O3S2
Molecular Weight343.41 g/mol
Exact Mass343.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C13H14FN3O3S2/c1-2-11(12(18)16-13-15-7-8-21-13)17-22(19,20)10-5-3-9(14)4-6-10/h3-8,11,17H,2H2,1H3,(H,15,16,18)
InChIKeySRFLEVIBUTUGJX-UHFFFAOYSA-N
XLogP1.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 110502529
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
CID 3265126
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-4-pyridinyl)butanamide
CID 110499336
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
CID 164862469
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179
N-(4-butylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499174
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide (CID 110502528) is 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is SRFLEVIBUTUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S2/c1-2-11(12(18)16-13-15-7-8-21-13)17-22(19,20)10-5-3-9(14)4-6-10/h3-8,11,17H,2H2,1H3,(H,15,16,18).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 343.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 110502528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).