3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide

C14H11ClN2O5S — CID 110350533

IUPAC3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1Cl
InChIInChI=1S/C14H11ClN2O5S/c1-21-12-5-3-9(7-10(12)15)23(19,20)17-8-2-4-11-13(6-8)22-14(18)16-11/h2-7,17H,1H3,(H,16,18)
InChIKeyWKGLYTCMSFMTGH-UHFFFAOYSA-N
MW354.77 g/mol
LogP2.58
Rot. Bonds4

About 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 110350533) has the molecular formula C14H11ClN2O5S and a molecular weight of 354.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID110350533
Molecular FormulaC14H11ClN2O5S
Molecular Weight354.77 g/mol
Exact Mass354.01
IUPAC Name3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1Cl
InChIInChI=1S/C14H11ClN2O5S/c1-21-12-5-3-9(7-10(12)15)23(19,20)17-8-2-4-11-13(6-8)22-14(18)16-11/h2-7,17H,1H3,(H,16,18)
InChIKeyWKGLYTCMSFMTGH-UHFFFAOYSA-N
XLogP2.58
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110362086
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648159
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 110350533) is 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is WKGLYTCMSFMTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5S/c1-21-12-5-3-9(7-10(12)15)23(19,20)17-8-2-4-11-13(6-8)22-14(18)16-11/h2-7,17H,1H3,(H,16,18).
What are the key properties of 3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 354.77 g/mol, XLogP of 2.58, 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-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 110350533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).