(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

C11H11FN4O3S2 — CID 29370496

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H11FN4O3S2/c1-7(10(17)14-11-15-13-6-20-11)16-21(18,19)9-4-2-8(12)3-5-9/h2-7,16H,1H3,(H,14,15,17)/t7-/m0/s1
InChIKeyOLHQWWLKAMYLNK-ZETCQYMHSA-N
MW330.37 g/mol
LogP0.98
Rot. Bonds5

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 29370496) has the molecular formula C11H11FN4O3S2 and a molecular weight of 330.37 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID29370496
Molecular FormulaC11H11FN4O3S2
Molecular Weight330.37 g/mol
Exact Mass330.03
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nncs1
InChIInChI=1S/C11H11FN4O3S2/c1-7(10(17)14-11-15-13-6-20-11)16-21(18,19)9-4-2-8(12)3-5-9/h2-7,16H,1H3,(H,14,15,17)/t7-/m0/s1
InChIKeyOLHQWWLKAMYLNK-ZETCQYMHSA-N
XLogP0.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)propanamide
CID 124549106
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 41083467
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2S)-N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 29283920
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 29370496) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OLHQWWLKAMYLNK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11FN4O3S2/c1-7(10(17)14-11-15-13-6-20-11)16-21(18,19)9-4-2-8(12)3-5-9/h2-7,16H,1H3,(H,14,15,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 330.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 29370496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).