3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide

C21H17ClN4O6S2 — CID 46241251

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C3=NS(=O)ON3)cc2)c1
InChIInChI=1S/C21H17ClN4O6S2/c1-31-18-10-7-15(22)12-19(18)34(29,30)26-17-4-2-3-14(11-17)21(27)23-16-8-5-13(6-9-16)20-24-32-33(28)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25)
InChIKeyOAXPNIZJBVLVIL-UHFFFAOYSA-N
MW520.98 g/mol
LogP3.26
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide

3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide (PubChem CID 46241251) has the molecular formula C21H17ClN4O6S2 and a molecular weight of 520.98 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide
PubChem CID46241251
Molecular FormulaC21H17ClN4O6S2
Molecular Weight520.98 g/mol
Exact Mass520.03
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C3=NS(=O)ON3)cc2)c1
InChIInChI=1S/C21H17ClN4O6S2/c1-31-18-10-7-15(22)12-19(18)34(29,30)26-17-4-2-3-14(11-17)21(27)23-16-8-5-13(6-9-16)20-24-32-33(28)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25)
InChIKeyOAXPNIZJBVLVIL-UHFFFAOYSA-N
XLogP3.26
TPSA135.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.98
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
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N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
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N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
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CID 3706982
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
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3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide (CID 46241251) is 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C3=NS(=O)ON3)cc2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide?
The InChIKey is OAXPNIZJBVLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O6S2/c1-31-18-10-7-15(22)12-19(18)34(29,30)26-17-4-2-3-14(11-17)21(27)23-16-8-5-13(6-9-16)20-24-32-33(28)25-20/h2-12,26H,1H3,(H,23,27)(H,24,25).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide has a molecular weight of 520.98 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[4-(2-oxo-5H-1,2,3,5-oxathiadiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 46241251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).