2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

C16H16N2O6S — CID 110291824

IUPAC2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyDKIMMTGPWAYRMC-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.84
Rot. Bonds5

About 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (PubChem CID 110291824) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
PubChem CID110291824
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19)
InChIKeyDKIMMTGPWAYRMC-UHFFFAOYSA-N
XLogP1.84
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615770
3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-sulfonic acid amide
CID 615071
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
2-(4-methoxyphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1094291
2-(4-methoxyphenoxy)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 1118216
ethyl 4-{[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]amino}piperidine-1-carboxylate
CID 3239619
N-[2-methoxy-5-(morpholin-4-ylsulfonyl)phenyl]-2-phenoxyacetamide
CID 6485568
3-keto-6-methyl-N-(m-tolyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 22548425
N-[4-(4-morpholinylsulfonyl)phenyl]-2-phenoxyacetamide
CID 1010129
N-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4714730
(S)-tert-butyl (2-(acetamidomethyl)-4-((4-fluoro-3-methoxyphenyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)carbamate
CID 118180884

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (CID 110291824) is 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The InChIKey is DKIMMTGPWAYRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-22-10-6-7-13(23-2)14(8-10)25(20,21)18-12-5-3-4-11-16(12)24-9-15(19)17-11/h3-8,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide has a molecular weight of 364.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110291824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).