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

C18H17ClN4O4S2 — CID 53126502

IUPACN-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O4S2/c1-11-15(29(25,26)22-13-6-4-5-12(19)9-13)10-14(28-11)16-20-17(27-21-16)18(24)23-7-2-3-8-23/h4-6,9-10,22H,2-3,7-8H2,1H3
InChIKeyYQHWBNURCOVAPJ-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.80
Rot. Bonds5

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

N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (PubChem CID 53126502) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
PubChem CID53126502
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O4S2/c1-11-15(29(25,26)22-13-6-4-5-12(19)9-13)10-14(28-11)16-20-17(27-21-16)18(24)23-7-2-3-8-23/h4-6,9-10,22H,2-3,7-8H2,1H3
InChIKeyYQHWBNURCOVAPJ-UHFFFAOYSA-N
XLogP3.80
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126513
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
N-(3,4-dimethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53011733
N-(2-ethyl-6-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126547
N-[(4-chlorophenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126505
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126534
N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126584
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126618
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126548
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 95092083
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (CID 53126502) is N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is YQHWBNURCOVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c1-11-15(29(25,26)22-13-6-4-5-12(19)9-13)10-14(28-11)16-20-17(27-21-16)18(24)23-7-2-3-8-23/h4-6,9-10,22H,2-3,7-8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 452.95 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53126502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).