N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C16H13N3O6S — CID 25326023

IUPACN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESC[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2NC1=O
InChIInChI=1S/C16H13N3O6S/c1-8-15(20)17-12-6-9(2-5-13(12)24-8)19-26(22,23)10-3-4-11-14(7-10)25-16(21)18-11/h2-8,19H,1H3,(H,17,20)(H,18,21)/t8-/m0/s1
InChIKeyZOZWFWNYGWVUMJ-QMMMGPOBSA-N
MW375.36 g/mol
LogP1.64
Rot. Bonds3

About N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 25326023) has the molecular formula C16H13N3O6S and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID25326023
Molecular FormulaC16H13N3O6S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESC[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2NC1=O
InChIInChI=1S/C16H13N3O6S/c1-8-15(20)17-12-6-9(2-5-13(12)24-8)19-26(22,23)10-3-4-11-14(7-10)25-16(21)18-11/h2-8,19H,1H3,(H,17,20)(H,18,21)/t8-/m0/s1
InChIKeyZOZWFWNYGWVUMJ-QMMMGPOBSA-N
XLogP1.64
TPSA130.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

3,4-difluoro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844849
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8844810
2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110406150
3-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 18092923
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-propylbenzenesulfonamide
CID 8844714
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
N-[2-methoxy-5-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]sulfamoyl]phenyl]acetamide
CID 8844751
3-cyano-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844776
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 25326023) is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2NC1=O.
What is the InChIKey of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ZOZWFWNYGWVUMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H13N3O6S/c1-8-15(20)17-12-6-9(2-5-13(12)24-8)19-26(22,23)10-3-4-11-14(7-10)25-16(21)18-11/h2-8,19H,1H3,(H,17,20)(H,18,21)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 375.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 25326023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).