3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide

C17H16ClN3O4S — CID 3235669

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c18-13-5-2-1-4-12(13)8-10-19-16(22)9-11-26(23,24)15-7-3-6-14-17(15)21-25-20-14/h1-7H,8-11H2,(H,19,22)
InChIKeyPTNAMCFEVYXWFB-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.40
Rot. Bonds7

About 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide (PubChem CID 3235669) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide
PubChem CID3235669
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c18-13-5-2-1-4-12(13)8-10-19-16(22)9-11-26(23,24)15-7-3-6-14-17(15)21-25-20-14/h1-7H,8-11H2,(H,19,22)
InChIKeyPTNAMCFEVYXWFB-UHFFFAOYSA-N
XLogP2.40
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide (CID 3235669) is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide is O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1Cl.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide?
The InChIKey is PTNAMCFEVYXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-13-5-2-1-4-12(13)8-10-19-16(22)9-11-26(23,24)15-7-3-6-14-17(15)21-25-20-14/h1-7H,8-11H2,(H,19,22).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide has a molecular weight of 393.85 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[2-(2-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 3235669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).