3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide

C16H15ClN2O4S — CID 39969093

IUPAC3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2c(=O)oc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H15ClN2O4S/c1-18(2)24(21,22)13-5-3-4-11(8-13)10-19-14-7-6-12(17)9-15(14)23-16(19)20/h3-9H,10H2,1-2H3
InChIKeyPAUVYNYYCUTESC-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.55
Rot. Bonds4

About 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide

3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 39969093) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID39969093
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Cn2c(=O)oc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H15ClN2O4S/c1-18(2)24(21,22)13-5-3-4-11(8-13)10-19-14-7-6-12(17)9-15(14)23-16(19)20/h3-9H,10H2,1-2H3
InChIKeyPAUVYNYYCUTESC-UHFFFAOYSA-N
XLogP2.55
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide (CID 39969093) is 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Cn2c(=O)oc3cc(Cl)ccc32)c1.
What is the InChIKey of 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is PAUVYNYYCUTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-18(2)24(21,22)13-5-3-4-11(8-13)10-19-14-7-6-12(17)9-15(14)23-16(19)20/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 39969093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).