5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide

C15H13ClN2O5S — CID 20962051

IUPAC5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H13ClN2O5S/c1-18-11-5-4-10(8-13(11)23-15(18)19)17-24(20,21)14-7-9(16)3-6-12(14)22-2/h3-8,17H,1-2H3
InChIKeyOCLACPJEAHTIAW-UHFFFAOYSA-N
MW368.80 g/mol
LogP2.59
Rot. Bonds4

About 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 20962051) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID20962051
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H13ClN2O5S/c1-18-11-5-4-10(8-13(11)23-15(18)19)17-24(20,21)14-7-9(16)3-6-12(14)22-2/h3-8,17H,1-2H3
InChIKeyOCLACPJEAHTIAW-UHFFFAOYSA-N
XLogP2.59
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-dibenzofuran-3-yl-2-methoxybenzenesulfonamide
CID 100554095
5-chloro-N-(3-ethyl-6-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-methoxybenzenesulfonamide
CID 70111986
5-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methoxybenzenesulfonamide
CID 50800114
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-chloro-2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide
CID 71730050
5-chloro-2-methoxy-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110412691
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 20962051) is 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is OCLACPJEAHTIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-18-11-5-4-10(8-13(11)23-15(18)19)17-24(20,21)14-7-9(16)3-6-12(14)22-2/h3-8,17H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 368.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 20962051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).