N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide

C16H17N3O4S — CID 53175513

IUPACN-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c1
InChIInChI=1S/C16H17N3O4S/c1-10(2)15-17-18-16(23-15)13-7-8-14(22-13)24(20,21)19-12-6-4-5-11(3)9-12/h4-10,19H,1-3H3
InChIKeyJTNBRNCPVHUOCF-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.56
Rot. Bonds5

About N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide

N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (PubChem CID 53175513) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
PubChem CID53175513
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c1
InChIInChI=1S/C16H17N3O4S/c1-10(2)15-17-18-16(23-15)13-7-8-14(22-13)24(20,21)19-12-6-4-5-11(3)9-12/h4-10,19H,1-3H3
InChIKeyJTNBRNCPVHUOCF-UHFFFAOYSA-N
XLogP3.56
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylfuran-2-sulfonamide
CID 53175453
N-(2-ethoxyphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175530
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-ethylphenyl)furan-2-sulfonamide
CID 53175456
2-propan-2-yl-5-(5-pyrrolidin-1-ylsulfonylfuran-2-yl)-1,3,4-oxadiazole
CID 53175552
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)furan-2-sulfonamide
CID 53175627
2-(5-piperidin-1-ylsulfonylfuran-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 53175553
N-(3-bromophenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
CID 46329425
N-(2,4-dimethylphenyl)-5-(5-ethyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175472
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085812

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (CID 53175513) is N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The InChIKey is JTNBRNCPVHUOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10(2)15-17-18-16(23-15)13-7-8-14(22-13)24(20,21)19-12-6-4-5-11(3)9-12/h4-10,19H,1-3H3.
What are the key properties of N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 53175513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).