N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide

C16H21N3O4S — CID 53175567

IUPACN-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(-c2nnc(C3CC3)o2)o1
InChIInChI=1S/C16H21N3O4S/c20-24(21,19-12-5-3-1-2-4-6-12)14-10-9-13(22-14)16-18-17-15(23-16)11-7-8-11/h9-12,19H,1-8H2
InChIKeyPJMSRUIKDSDXSU-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.21
Rot. Bonds5

About N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide

N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (PubChem CID 53175567) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
PubChem CID53175567
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(-c2nnc(C3CC3)o2)o1
InChIInChI=1S/C16H21N3O4S/c20-24(21,19-12-5-3-1-2-4-6-12)14-10-9-13(22-14)16-18-17-15(23-16)11-7-8-11/h9-12,19H,1-8H2
InChIKeyPJMSRUIKDSDXSU-UHFFFAOYSA-N
XLogP3.21
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-cycloheptylfuran-2-sulfonamide
CID 53175630
N-cycloheptyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175464
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]furan-2-sulfonamide
CID 53175709
5-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-(3,5-dimethoxyphenyl)furan-2-sulfonamide
CID 53175685
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(5-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53175653
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)furan-2-sulfonamide
CID 53175627
2-cyclopentyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175715
2-cyclopropyl-5-[5-(4-propan-2-ylpiperazin-1-yl)sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175609
2-cyclobutyl-5-[5-[(3S)-3-methylpiperidin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 95103469

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The IUPAC name of N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide (CID 53175567) is N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide.
What is the SMILES notation for N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The canonical SMILES for N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is O=S(=O)(NC1CCCCCC1)c1ccc(-c2nnc(C3CC3)o2)o1.
What is the InChIKey of N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
The InChIKey is PJMSRUIKDSDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c20-24(21,19-12-5-3-1-2-4-6-12)14-10-9-13(22-14)16-18-17-15(23-16)11-7-8-11/h9-12,19H,1-8H2.
What are the key properties of N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide?
N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 53175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).