4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

C23H24ClN3O4S — CID 42945084

IUPAC4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ncc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC(C)C4)c3)cc2)o1
InChIInChI=1S/C23H24ClN3O4S/c1-15-4-3-11-27(14-15)32(29,30)22-12-18(7-10-20(22)24)23(28)26-19-8-5-17(6-9-19)21-13-25-16(2)31-21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,26,28)
InChIKeyUMGRQEKXMNZIRE-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.98
Rot. Bonds5

About 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide

4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 42945084) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID42945084
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ncc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC(C)C4)c3)cc2)o1
InChIInChI=1S/C23H24ClN3O4S/c1-15-4-3-11-27(14-15)32(29,30)22-12-18(7-10-20(22)24)23(28)26-19-8-5-17(6-9-19)21-13-25-16(2)31-21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,26,28)
InChIKeyUMGRQEKXMNZIRE-UHFFFAOYSA-N
XLogP4.98
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 42945084) is 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ncc(-c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC(C)C4)c3)cc2)o1.
What is the InChIKey of 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UMGRQEKXMNZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-15-4-3-11-27(14-15)32(29,30)22-12-18(7-10-20(22)24)23(28)26-19-8-5-17(6-9-19)21-13-25-16(2)31-21/h5-10,12-13,15H,3-4,11,14H2,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide?
4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 473.98 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 42945084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).