N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide

C19H20N2O3S — CID 110417093

IUPACN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)o1
InChIInChI=1S/C19H20N2O3S/c1-12-5-10-18(11-13(12)2)25(22,23)21-17-8-6-16(7-9-17)19-14(3)24-15(4)20-19/h5-11,21H,1-4H3
InChIKeyKLJNRHZFVKGPJZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.38
Rot. Bonds4

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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110417093) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110417093
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)o1
InChIInChI=1S/C19H20N2O3S/c1-12-5-10-18(11-13(12)2)25(22,23)21-17-8-6-16(7-9-17)19-14(3)24-15(4)20-19/h5-11,21H,1-4H3
InChIKeyKLJNRHZFVKGPJZ-UHFFFAOYSA-N
XLogP4.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
CID 110642631
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
3,4-dimethyl-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297613
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 110417093) is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is KLJNRHZFVKGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-12-5-10-18(11-13(12)2)25(22,23)21-17-8-6-16(7-9-17)19-14(3)24-15(4)20-19/h5-11,21H,1-4H3.
What are the key properties of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110417093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).