N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide

C32H26F2N4O7S2 — CID 67636251

IUPACN-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)noc1C(F)F)c1ccccc1.O=S(=O)(Nc1c(-c2ccccc2)noc1CO)c1ccccc1
InChIInChI=1S/C16H12F2N2O3S.C16H14N2O4S/c17-16(18)15-14(13(19-23-15)11-7-3-1-4-8-11)20-24(21,22)12-9-5-2-6-10-12;19-11-14-16(15(17-22-14)12-7-3-1-4-8-12)18-23(20,21)13-9-5-2-6-10-13/h1-10,16,20H;1-10,18-19H,11H2
InChIKeyHLONZHQNIJONKD-UHFFFAOYSA-N
MW680.71 g/mol
LogP6.71
Rot. Bonds10

About N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide

N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67636251) has the molecular formula C32H26F2N4O7S2 and a molecular weight of 680.71 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67636251
Molecular FormulaC32H26F2N4O7S2
Molecular Weight680.71 g/mol
Exact Mass680.12
IUPAC NameN-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)noc1C(F)F)c1ccccc1.O=S(=O)(Nc1c(-c2ccccc2)noc1CO)c1ccccc1
InChIInChI=1S/C16H12F2N2O3S.C16H14N2O4S/c17-16(18)15-14(13(19-23-15)11-7-3-1-4-8-11)20-24(21,22)12-9-5-2-6-10-12;19-11-14-16(15(17-22-14)12-7-3-1-4-8-12)18-23(20,21)13-9-5-2-6-10-13/h1-10,16,20H;1-10,18-19H,11H2
InChIKeyHLONZHQNIJONKD-UHFFFAOYSA-N
XLogP6.71
TPSA164.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.71
LogP ≤ 56.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67596908
N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594851
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 57275035
N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67596505
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
CID 2814460
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 55475167
5-ethyl-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 59810471
N-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 174717303
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 67636251) is N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)noc1C(F)F)c1ccccc1.O=S(=O)(Nc1c(-c2ccccc2)noc1CO)c1ccccc1.
What is the InChIKey of N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is HLONZHQNIJONKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S.C16H14N2O4S/c17-16(18)15-14(13(19-23-15)11-7-3-1-4-8-11)20-24(21,22)12-9-5-2-6-10-12;19-11-14-16(15(17-22-14)12-7-3-1-4-8-12)18-23(20,21)13-9-5-2-6-10-13/h1-10,16,20H;1-10,18-19H,11H2.
What are the key properties of N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 680.71 g/mol, XLogP of 6.71, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67636251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).