N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide

C15H14N2O3S — CID 110728958

IUPACN-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3ncoc3c2)c1
InChIInChI=1S/C15H14N2O3S/c1-11-3-2-4-12(7-11)9-21(18,19)17-13-5-6-14-15(8-13)20-10-16-14/h2-8,10,17H,9H2,1H3
InChIKeyMNTVLJDGSUAZLY-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.08
Rot. Bonds4

About N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide

N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110728958) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110728958
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2ccc3ncoc3c2)c1
InChIInChI=1S/C15H14N2O3S/c1-11-3-2-4-12(7-11)9-21(18,19)17-13-5-6-14-15(8-13)20-10-16-14/h2-8,10,17H,9H2,1H3
InChIKeyMNTVLJDGSUAZLY-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110729080
3-(1,3-benzoxazol-6-ylamino)-4-(3-methylanilino)cyclobut-3-ene-1,2-dione
CID 175495895
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)methanesulfonamide
CID 122287424
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 40889537
2-methyl-2-[3-[(3-methylphenyl)methylsulfonylamino]phenyl]propanoic acid
CID 167927121
1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
N-(1,3-benzoxazol-6-yl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110728969
1-(3-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 100683139

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide (CID 110728958) is N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2ccc3ncoc3c2)c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is MNTVLJDGSUAZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-3-2-4-12(7-11)9-21(18,19)17-13-5-6-14-15(8-13)20-10-16-14/h2-8,10,17H,9H2,1H3.
What are the key properties of N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110728958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).