N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

C18H17N3O5S — CID 110410892

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H17N3O5S/c22-17-3-1-2-10-21(17)13-5-7-14(8-6-13)27(24,25)20-12-4-9-16-15(11-12)19-18(23)26-16/h4-9,11,20H,1-3,10H2,(H,19,23)
InChIKeyBYXBBYIYGVZIGX-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.44
Rot. Bonds4

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (PubChem CID 110410892) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
PubChem CID110410892
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
SMILESO=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H17N3O5S/c22-17-3-1-2-10-21(17)13-5-7-14(8-6-13)27(24,25)20-12-4-9-16-15(11-12)19-18(23)26-16/h4-9,11,20H,1-3,10H2,(H,19,23)
InChIKeyBYXBBYIYGVZIGX-UHFFFAOYSA-N
XLogP2.44
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110616378
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 35547044
1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-4-sulfonamide
CID 71806482

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide (CID 110410892) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is O=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
The InChIKey is BYXBBYIYGVZIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-17-3-1-2-10-21(17)13-5-7-14(8-6-13)27(24,25)20-12-4-9-16-15(11-12)19-18(23)26-16/h4-9,11,20H,1-3,10H2,(H,19,23).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110410892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).