N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide

C18H16ClN3O4S2 — CID 46805926

IUPACN-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-11(16(23)12-5-9-15(10-6-12)22-28(2,24)25)27-18-21-20-17(26-18)13-3-7-14(19)8-4-13/h3-11,22H,1-2H3
InChIKeyNQYYJXRGZLMXGX-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.12
Rot. Bonds7

About N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide

N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide (PubChem CID 46805926) has the molecular formula C18H16ClN3O4S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
PubChem CID46805926
Molecular FormulaC18H16ClN3O4S2
Molecular Weight437.93 g/mol
Exact Mass437.03
IUPAC NameN-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
SMILESCC(Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-11(16(23)12-5-9-15(10-6-12)22-28(2,24)25)27-18-21-20-17(26-18)13-3-7-14(19)8-4-13/h3-11,22H,1-2H3
InChIKeyNQYYJXRGZLMXGX-UHFFFAOYSA-N
XLogP4.12
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide
CID 43023449
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554777
4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 42902457
4-[[(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]benzamide
CID 7907106
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 4814019
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7241900
1-(4-chlorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 16560250
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 4825081
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanoyl]phenyl]methanesulfonamide
CID 43023545
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7556826
(2R)-1-(4-ethoxyphenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7661137

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide (CID 46805926) is N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide is CC(Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
The InChIKey is NQYYJXRGZLMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S2/c1-11(16(23)12-5-9-15(10-6-12)22-28(2,24)25)27-18-21-20-17(26-18)13-3-7-14(19)8-4-13/h3-11,22H,1-2H3.
What are the key properties of N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide?
N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide has a molecular weight of 437.93 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46805926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).