N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide

C16H17N3O4S — CID 90563522

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H17N3O4S/c1-2-10-24(20,21)19-13-7-4-3-6-12(13)11-15-17-16(18-23-15)14-8-5-9-22-14/h3-9,19H,2,10-11H2,1H3
InChIKeyYESZZCJTMQSZQC-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.07
Rot. Bonds7

About N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide (PubChem CID 90563522) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide
PubChem CID90563522
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C16H17N3O4S/c1-2-10-24(20,21)19-13-7-4-3-6-12(13)11-15-17-16(18-23-15)14-8-5-9-22-14/h3-9,19H,2,10-11H2,1H3
InChIKeyYESZZCJTMQSZQC-UHFFFAOYSA-N
XLogP3.07
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 90563531
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]pyrrolidine-1-sulfonamide
CID 90563620
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90563552
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 90563615
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86263840
2-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563356
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328
5-chloro-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]thiophene-2-carboxamide
CID 71800597
2-(1,2-benzoxazol-3-yl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 72717405
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71800594

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide (CID 90563522) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide?
The InChIKey is YESZZCJTMQSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-10-24(20,21)19-13-7-4-3-6-12(13)11-15-17-16(18-23-15)14-8-5-9-22-14/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 90563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).