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

C19H20N2O3S2 — CID 67596908

IUPACN-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCC(C)CSc1onc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14(2)13-25-19-18(17(20-24-19)15-9-5-3-6-10-15)21-26(22,23)16-11-7-4-8-12-16/h3-12,14,21H,13H2,1-2H3
InChIKeyCGBOMMVNZMNUHC-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.89
Rot. Bonds7

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

N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67596908) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67596908
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC NameN-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCC(C)CSc1onc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O3S2/c1-14(2)13-25-19-18(17(20-24-19)15-9-5-3-6-10-15)21-26(22,23)16-11-7-4-8-12-16/h3-12,14,21H,13H2,1-2H3
InChIKeyCGBOMMVNZMNUHC-UHFFFAOYSA-N
XLogP4.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67636251
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
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594851
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propylbenzenesulfonamide
CID 69083499
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
4-phenyl-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153381057
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
N-[5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 10620124

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 67596908) is N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is CC(C)CSc1onc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is CGBOMMVNZMNUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-14(2)13-25-19-18(17(20-24-19)15-9-5-3-6-10-15)21-26(22,23)16-11-7-4-8-12-16/h3-12,14,21H,13H2,1-2H3.
What are the key properties of N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropylsulfanyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67596908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).