[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate

C13H13ClN2O4S2 — CID 10269933

IUPAC[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
SMILESCC(=O)Oc1sc(NS(=O)(=O)c2cccc(Cl)c2C)nc1C
InChIInChI=1S/C13H13ClN2O4S2/c1-7-10(14)5-4-6-11(7)22(18,19)16-13-15-8(2)12(21-13)20-9(3)17/h4-6H,1-3H3,(H,15,16)
InChIKeyNZZRMMLCWPEZED-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.14
Rot. Bonds4

About [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate

[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate (PubChem CID 10269933) has the molecular formula C13H13ClN2O4S2 and a molecular weight of 360.84 g/mol. Its IUPAC name is [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate.

Molecular Properties

Compound Name[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
PubChem CID10269933
Molecular FormulaC13H13ClN2O4S2
Molecular Weight360.84 g/mol
Exact Mass360.00
IUPAC Name[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
SMILESCC(=O)Oc1sc(NS(=O)(=O)c2cccc(Cl)c2C)nc1C
InChIInChI=1S/C13H13ClN2O4S2/c1-7-10(14)5-4-6-11(7)22(18,19)16-13-15-8(2)12(21-13)20-9(3)17/h4-6H,1-3H3,(H,15,16)
InChIKeyNZZRMMLCWPEZED-UHFFFAOYSA-N
XLogP3.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
CID 91435720
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
3-chloro-2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75420865
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11537498
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
3,3-bis[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]-4-ethoxy-4-oxobutanoic acid
CID 90903195

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate?
The IUPAC name of [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate (CID 10269933) is [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate.
What is the SMILES notation for [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate?
The canonical SMILES for [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate is CC(=O)Oc1sc(NS(=O)(=O)c2cccc(Cl)c2C)nc1C.
What is the InChIKey of [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate?
The InChIKey is NZZRMMLCWPEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S2/c1-7-10(14)5-4-6-11(7)22(18,19)16-13-15-8(2)12(21-13)20-9(3)17/h4-6H,1-3H3,(H,15,16).
What are the key properties of [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate?
[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate has a molecular weight of 360.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate is sourced from PubChem (CID 10269933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).