2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C12H14ClN3O3S2 — CID 2161234

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)NC1=NCCS1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,15,17)
InChIKeyLGTBQJHQIVDQIP-UHFFFAOYSA-N
MW347.85 g/mol
LogP1.18
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 2161234) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID2161234
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)NC1=NCCS1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,15,17)
InChIKeyLGTBQJHQIVDQIP-UHFFFAOYSA-N
XLogP1.18
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-chlorophenyl)sulfonyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 731321
1-(4-Chlorophenyl)sulfonyl-2-ethylsulfanyl-4,5-dihydroimidazole
CID 2148551
4-chloro-N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 6507306
p-chlorophenyl[(E)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylideneamino](oxo)-lambda-sulfaniumolate
CID 2133649
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 2547676
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331521
(2S)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 2574002
(E)-4-chloro-N-(3-ethyl-4-oxothiazolidin-2-ylidene)benzenesulfonamide
CID 5639595
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide
CID 957595
4-chloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 137079416
(2R)-1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 2574005
1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 4877447

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 2161234) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is CN(CC(=O)NC1=NCCS1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is LGTBQJHQIVDQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c1-16(8-11(17)15-12-14-6-7-20-12)21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,15,17).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 347.85 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2161234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).