3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

C15H13ClN2O5S — CID 110291828

IUPAC3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1Cl
InChIInChI=1S/C15H13ClN2O5S/c1-22-13-6-5-9(7-10(13)16)24(20,21)18-12-4-2-3-11-15(12)23-8-14(19)17-11/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyZRJTUTPWHUZVCG-UHFFFAOYSA-N
MW368.80 g/mol
LogP2.48
Rot. Bonds4

About 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (PubChem CID 110291828) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
PubChem CID110291828
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1Cl
InChIInChI=1S/C15H13ClN2O5S/c1-22-13-6-5-9(7-10(13)16)24(20,21)18-12-4-2-3-11-15(12)23-8-14(19)17-11/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyZRJTUTPWHUZVCG-UHFFFAOYSA-N
XLogP2.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110291824
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-8-yl)thiophene-2-sulfonamide
CID 110291842

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide (CID 110291828) is 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
The InChIKey is ZRJTUTPWHUZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-22-13-6-5-9(7-10(13)16)24(20,21)18-12-4-2-3-11-15(12)23-8-14(19)17-11/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide has a molecular weight of 368.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 110291828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).