4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C13H15N3O4S — CID 99793585

IUPAC4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(COCC3CC3)n2)cc1
InChIInChI=1S/C13H15N3O4S/c14-21(17,18)11-5-3-10(4-6-11)13-15-12(20-16-13)8-19-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H2,14,17,18)
InChIKeyUHICYSSLGSHQHD-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.31
Rot. Bonds6

About 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 99793585) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID99793585
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2noc(COCC3CC3)n2)cc1
InChIInChI=1S/C13H15N3O4S/c14-21(17,18)11-5-3-10(4-6-11)13-15-12(20-16-13)8-19-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H2,14,17,18)
InChIKeyUHICYSSLGSHQHD-UHFFFAOYSA-N
XLogP1.31
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylmethoxymethyl)-3-[6-(difluoromethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 154846732
4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 136535361
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-sulfamoylbenzoate
CID 55499436
1-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857084
4-[5-(1-piperidin-4-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 167785933
3-(4-methylphenyl)-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 78803769
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 99727953
4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 55936430
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 66989058
[3-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412205

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 99793585) is 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2noc(COCC3CC3)n2)cc1.
What is the InChIKey of 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is UHICYSSLGSHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-21(17,18)11-5-3-10(4-6-11)13-15-12(20-16-13)8-19-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H2,14,17,18).
What are the key properties of 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 99793585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).