N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C17H15ClN4O4S2 — CID 2057813

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H15ClN4O4S2/c18-14-8-7-13(27-14)16-20-21-17(26-16)19-15(23)11-3-5-12(6-4-11)28(24,25)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,21,23)
InChIKeyCAEKALQLINWDBF-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.49
Rot. Bonds5

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2057813) has the molecular formula C17H15ClN4O4S2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2057813
Molecular FormulaC17H15ClN4O4S2
Molecular Weight438.92 g/mol
Exact Mass438.02
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H15ClN4O4S2/c18-14-8-7-13(27-14)16-20-21-17(26-16)19-15(23)11-3-5-12(6-4-11)28(24,25)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,21,23)
InChIKeyCAEKALQLINWDBF-UHFFFAOYSA-N
XLogP3.49
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
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N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2057813) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CAEKALQLINWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S2/c18-14-8-7-13(27-14)16-20-21-17(26-16)19-15(23)11-3-5-12(6-4-11)28(24,25)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,21,23).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 438.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2057813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).