N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

C15H13ClN2O4S — CID 53085799

IUPACN-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)o2)on1
InChIInChI=1S/C15H13ClN2O4S/c1-10-8-14(22-18-10)13-6-7-15(21-13)23(19,20)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3
InChIKeySKVUQAVKOGUFTC-UHFFFAOYSA-N
MW352.80 g/mol
LogP3.37
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (PubChem CID 53085799) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
PubChem CID53085799
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)o2)on1
InChIInChI=1S/C15H13ClN2O4S/c1-10-8-14(22-18-10)13-6-7-15(21-13)23(19,20)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3
InChIKeySKVUQAVKOGUFTC-UHFFFAOYSA-N
XLogP3.37
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
5-(3-methyl-1,2-oxazol-5-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]furan-2-sulfonamide
CID 131910108
N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073598
N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-(2,3-dimethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085804
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 20934938
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085812
N-[(4-methoxyphenyl)methyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20934937
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (CID 53085799) is N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)o2)on1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The InChIKey is SKVUQAVKOGUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-10-8-14(22-18-10)13-6-7-15(21-13)23(19,20)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide has a molecular weight of 352.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 53085799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).