2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C13H14ClN3O3S2 — CID 2547676

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-
InChIKeyNWLQOZAZRPORRE-SQFISAMPSA-N
MW359.86 g/mol
LogP1.49
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 2547676) has the molecular formula C13H14ClN3O3S2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID2547676
Molecular FormulaC13H14ClN3O3S2
Molecular Weight359.86 g/mol
Exact Mass359.02
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-
InChIKeyNWLQOZAZRPORRE-SQFISAMPSA-N
XLogP1.49
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2161234
4-chloro-N-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 8934441
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 31288583
(E)-4-chloro-N-(3-ethyl-4-oxothiazolidin-2-ylidene)benzenesulfonamide
CID 5639595
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-imino-1,3-thiazol-3-yl)ethanone;hydrochloride
CID 16245340
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-imino-1,3-thiazol-3-yl)ethanone
CID 2085390
3-(4-chlorophenyl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 31287269
2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 31288561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 2547676) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is CN(CC(=O)/N=c1\sccn1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is NWLQOZAZRPORRE-SQFISAMPSA-N. The full InChI is InChI=1S/C13H14ClN3O3S2/c1-16-7-8-21-13(16)15-12(18)9-17(2)22(19,20)11-5-3-10(14)4-6-11/h3-8H,9H2,1-2H3/b15-13-.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 359.86 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 2547676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).