N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide

C14H12N2O3S — CID 155526717

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H12N2O3S/c1-20(17,18)16-11-7-8-13-12(9-11)15-14(19-13)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyMEFGMEZNBFFZJC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.87
Rot. Bonds3

About N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide

N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide (PubChem CID 155526717) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
PubChem CID155526717
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1
InChIInChI=1S/C14H12N2O3S/c1-20(17,18)16-11-7-8-13-12(9-11)15-14(19-13)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyMEFGMEZNBFFZJC-UHFFFAOYSA-N
XLogP2.87
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
2-(trifluoromethyl)-N-[4-[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134133803
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 22973776
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2,2-dimethyl-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 17099835
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 2275559
N-[2-(5-amino-1,3-benzoxazol-2-yl)phenyl]methanesulfonamide
CID 151173328
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide (CID 155526717) is N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide?
The InChIKey is MEFGMEZNBFFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-20(17,18)16-11-7-8-13-12(9-11)15-14(19-13)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide is sourced from PubChem (CID 155526717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).