3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

C14H10Cl2N2O4S — CID 167830782

IUPAC3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(-c2ccc3c(c2Cl)NC(=O)CO3)c1
InChIInChI=1S/C14H10Cl2N2O4S/c15-8-3-7(4-9(5-8)23(17,20)21)10-1-2-11-14(13(10)16)18-12(19)6-22-11/h1-5H,6H2,(H,18,19)(H2,17,20,21)
InChIKeyHYGOERCHRHVJPL-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.64
Rot. Bonds2

About 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (PubChem CID 167830782) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
PubChem CID167830782
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(-c2ccc3c(c2Cl)NC(=O)CO3)c1
InChIInChI=1S/C14H10Cl2N2O4S/c15-8-3-7(4-9(5-8)23(17,20)21)10-1-2-11-14(13(10)16)18-12(19)6-22-11/h1-5H,6H2,(H,18,19)(H2,17,20,21)
InChIKeyHYGOERCHRHVJPL-UHFFFAOYSA-N
XLogP2.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (CID 167830782) is 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)cc(-c2ccc3c(c2Cl)NC(=O)CO3)c1.
What is the InChIKey of 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The InChIKey is HYGOERCHRHVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c15-8-3-7(4-9(5-8)23(17,20)21)10-1-2-11-14(13(10)16)18-12(19)6-22-11/h1-5H,6H2,(H,18,19)(H2,17,20,21).
What are the key properties of 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide has a molecular weight of 373.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chloro-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 167830782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).