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

C14H12ClN3O3S2 — CID 110323112

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1
InChIInChI=1S/C14H12ClN3O3S2/c1-9-6-7-13(22-9)23(19,20)16-8-12-17-14(18-21-12)10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3
InChIKeyKUUWUHKKZDWPJH-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.24
Rot. Bonds5

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

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110323112) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
PubChem CID110323112
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1
InChIInChI=1S/C14H12ClN3O3S2/c1-9-6-7-13(22-9)23(19,20)16-8-12-17-14(18-21-12)10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3
InChIKeyKUUWUHKKZDWPJH-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-sulfonamide
CID 110323111
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100515290
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 53278309
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 131903404
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-4-methoxybenzenesulfonamide
CID 66485547
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide (CID 110323112) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is KUUWUHKKZDWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-9-6-7-13(22-9)23(19,20)16-8-12-17-14(18-21-12)10-4-2-3-5-11(10)15/h2-7,16H,8H2,1H3.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110323112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).