(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate

C18H15ClN2O4S2 — CID 2467851

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O4S2/c19-14-7-4-8-16(9-14)27(23,24)20-10-17(22)25-11-15-12-26-18(21-15)13-5-2-1-3-6-13/h1-9,12,20H,10-11H2
InChIKeySURMNANHKVKCJO-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.49
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate (PubChem CID 2467851) has the molecular formula C18H15ClN2O4S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
PubChem CID2467851
Molecular FormulaC18H15ClN2O4S2
Molecular Weight422.92 g/mol
Exact Mass422.02
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O4S2/c19-14-7-4-8-16(9-14)27(23,24)20-10-17(22)25-11-15-12-26-18(21-15)13-5-2-1-3-6-13/h1-9,12,20H,10-11H2
InChIKeySURMNANHKVKCJO-UHFFFAOYSA-N
XLogP3.49
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3b
CID 57340182
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 2421412
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110219
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2500386
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
CID 2118237
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
(2-Phenyl-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 4857501
(2-phenyl-1,3-thiazol-4-yl)methyl (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2424386
(2-phenyl-1,3-thiazol-4-yl)methyl (2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2424387
(2-Phenyl-1,3-thiazol-4-yl)methyl 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 3991329
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4856749
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate
CID 7623981

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate (CID 2467851) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate?
The InChIKey is SURMNANHKVKCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S2/c19-14-7-4-8-16(9-14)27(23,24)20-10-17(22)25-11-15-12-26-18(21-15)13-5-2-1-3-6-13/h1-9,12,20H,10-11H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate has a molecular weight of 422.92 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2467851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).