N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H14N2O4S — CID 1093461

IUPACN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C15H14N2O4S/c1-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyBMNVABZNGOQMPV-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.61
Rot. Bonds4

About N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 1093461) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID1093461
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C15H14N2O4S/c1-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyBMNVABZNGOQMPV-UHFFFAOYSA-N
XLogP1.61
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 9551425
2-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-benzoic acid
CID 1093450
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 1093461) is N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BMNVABZNGOQMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-17-13-8-7-12(9-14(13)21-15(17)18)22(19,20)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 1093461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).