N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

C17H16ClN3O4S2 — CID 53041645

IUPACN-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C3CC3)n2)sc1C
InChIInChI=1S/C17H16ClN3O4S2/c1-9-15(8-14(26-9)16-19-17(25-20-16)10-3-4-10)27(22,23)21-12-7-11(18)5-6-13(12)24-2/h5-8,10,21H,3-4H2,1-2H3
InChIKeyLTBZMRVACROFJI-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.45
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53041645) has the molecular formula C17H16ClN3O4S2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53041645
Molecular FormulaC17H16ClN3O4S2
Molecular Weight425.92 g/mol
Exact Mass425.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C3CC3)n2)sc1C
InChIInChI=1S/C17H16ClN3O4S2/c1-9-15(8-14(26-9)16-19-17(25-20-16)10-3-4-10)27(22,23)21-12-7-11(18)5-6-13(12)24-2/h5-8,10,21H,3-4H2,1-2H3
InChIKeyLTBZMRVACROFJI-UHFFFAOYSA-N
XLogP4.45
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126618
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 53056993
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53042186
N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126584
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079287
N-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821998
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
N-(3,4-dimethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53011733
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 53041645) is N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C3CC3)n2)sc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is LTBZMRVACROFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S2/c1-9-15(8-14(26-9)16-19-17(25-20-16)10-3-4-10)27(22,23)21-12-7-11(18)5-6-13(12)24-2/h5-8,10,21H,3-4H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 425.92 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53041645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).