N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide

C17H16N2O3S — CID 54386633

IUPACN-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3conc3C)cc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-3-5-14(6-4-12)15-7-9-16(10-8-15)23(20,21)19-17-11-22-18-13(17)2/h3-11,19H,1-2H3
InChIKeyVDRQRFVYLCQIIN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.76
Rot. Bonds4

About N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide

N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 54386633) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
PubChem CID54386633
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3conc3C)cc2)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-3-5-14(6-4-12)15-7-9-16(10-8-15)23(20,21)19-17-11-22-18-13(17)2/h3-11,19H,1-2H3
InChIKeyVDRQRFVYLCQIIN-UHFFFAOYSA-N
XLogP3.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 140762991
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 14870864
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583105

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide (CID 54386633) is N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)Nc3conc3C)cc2)cc1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is VDRQRFVYLCQIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-3-5-14(6-4-12)15-7-9-16(10-8-15)23(20,21)19-17-11-22-18-13(17)2/h3-11,19H,1-2H3.
What are the key properties of N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide?
N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-4-yl)-4-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 54386633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).