2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

C13H13ClN4O3S2 — CID 133338471

IUPAC2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NC2CCN(c3cccc(Cl)c3)C2=O)s1
InChIInChI=1S/C13H13ClN4O3S2/c14-8-2-1-3-9(6-8)18-5-4-10(12(18)19)17-13-16-7-11(22-13)23(15,20)21/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,15,20,21)
InChIKeyWZTMOGYSRKGMKF-UHFFFAOYSA-N
MW372.86 g/mol
LogP1.66
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide

2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133338471) has the molecular formula C13H13ClN4O3S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
PubChem CID133338471
Molecular FormulaC13H13ClN4O3S2
Molecular Weight372.86 g/mol
Exact Mass372.01
IUPAC Name2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NC2CCN(c3cccc(Cl)c3)C2=O)s1
InChIInChI=1S/C13H13ClN4O3S2/c14-8-2-1-3-9(6-8)18-5-4-10(12(18)19)17-13-16-7-11(22-13)23(15,20)21/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,15,20,21)
InChIKeyWZTMOGYSRKGMKF-UHFFFAOYSA-N
XLogP1.66
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133353927
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 133338488
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133338426
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
CID 97221908
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide (CID 133338471) is 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NC2CCN(c3cccc(Cl)c3)C2=O)s1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is WZTMOGYSRKGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S2/c14-8-2-1-3-9(6-8)18-5-4-10(12(18)19)17-13-16-7-11(22-13)23(15,20)21/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,15,20,21).
What are the key properties of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide?
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 372.86 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133338471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).