1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide

C15H18ClN3O3S2 — CID 122160549

IUPAC1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C15H18ClN3O3S2/c16-13-4-2-1-3-12(13)10-24(20,21)17-9-14-18-15(19-22-14)11-5-7-23-8-6-11/h1-4,11,17H,5-10H2
InChIKeyOZWTZCYFEZNIQT-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (PubChem CID 122160549) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
PubChem CID122160549
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC Name1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCc1nc(C2CCSCC2)no1
InChIInChI=1S/C15H18ClN3O3S2/c16-13-4-2-1-3-12(13)10-24(20,21)17-9-14-18-15(19-22-14)11-5-7-23-8-6-11/h1-4,11,17H,5-10H2
InChIKeyOZWTZCYFEZNIQT-UHFFFAOYSA-N
XLogP2.95
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(methylsulfonylmethyl)aniline
CID 47086209
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 119104794
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 121021978
1-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 95336952
(E)-3-(2-chlorophenyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]but-2-enamide
CID 98476326
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739043
3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
CID 115016917
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 90562308

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (CID 122160549) is 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCc1nc(C2CCSCC2)no1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The InChIKey is OZWTZCYFEZNIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c16-13-4-2-1-3-12(13)10-24(20,21)17-9-14-18-15(19-22-14)11-5-7-23-8-6-11/h1-4,11,17H,5-10H2.
What are the key properties of 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 387.91 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 122160549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).