N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide

C17H14ClN3O4S2 — CID 17320832

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H14ClN3O4S2/c18-12-6-8-13(9-7-12)25-10-15(22)19-17-21-20-16(26-17)11-27(23,24)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22)
InChIKeyBRCDJXLJTJUSRY-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.18
Rot. Bonds7

About N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 17320832) has the molecular formula C17H14ClN3O4S2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID17320832
Molecular FormulaC17H14ClN3O4S2
Molecular Weight423.90 g/mol
Exact Mass423.01
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nnc(CS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C17H14ClN3O4S2/c18-12-6-8-13(9-7-12)25-10-15(22)19-17-21-20-16(26-17)11-27(23,24)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22)
InChIKeyBRCDJXLJTJUSRY-UHFFFAOYSA-N
XLogP3.18
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzenesulfonyl)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3605298
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17311918
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3968281
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
2-(3-chlorophenoxy)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1185936
2-(4-chlorophenoxy)-N-[5-[(1-ethylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 20933044

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide (CID 17320832) is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nnc(CS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is BRCDJXLJTJUSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S2/c18-12-6-8-13(9-7-12)25-10-15(22)19-17-21-20-16(26-17)11-27(23,24)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,21,22).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 423.90 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 17320832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).