N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

C17H16ClN3O3S2 — CID 53068247

IUPACN-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O3S2/c1-10-5-6-13(12(18)9-10)21-26(22,23)15-8-7-14(25-15)17-20-19-16(24-17)11-3-2-4-11/h5-9,11,21H,2-4H2,1H3
InChIKeyFGYXSWBINFHHHH-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.83
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53068247) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53068247
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC NameN-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O3S2/c1-10-5-6-13(12(18)9-10)21-26(22,23)15-8-7-14(25-15)17-20-19-16(24-17)11-3-2-4-11/h5-9,11,21H,2-4H2,1H3
InChIKeyFGYXSWBINFHHHH-UHFFFAOYSA-N
XLogP4.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068255
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53068184
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(5-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53175653
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53068247) is N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is FGYXSWBINFHHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c1-10-5-6-13(12(18)9-10)21-26(22,23)15-8-7-14(25-15)17-20-19-16(24-17)11-3-2-4-11/h5-9,11,21H,2-4H2,1H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 409.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53068247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).