4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide

C22H29ClN4O4S — CID 55622238

IUPAC4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CCCCCC2)no1
InChIInChI=1S/C22H29ClN4O4S/c1-16-24-21(26-31-16)22(11-5-2-3-6-12-22)25-20(28)17-9-10-18(23)19(15-17)32(29,30)27-13-7-4-8-14-27/h9-10,15H,2-8,11-14H2,1H3,(H,25,28)
InChIKeyOACNMCWWGOWWPC-UHFFFAOYSA-N
MW481.02 g/mol
LogP4.19
Rot. Bonds5

About 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55622238) has the molecular formula C22H29ClN4O4S and a molecular weight of 481.02 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55622238
Molecular FormulaC22H29ClN4O4S
Molecular Weight481.02 g/mol
Exact Mass480.16
IUPAC Name4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CCCCCC2)no1
InChIInChI=1S/C22H29ClN4O4S/c1-16-24-21(26-31-16)22(11-5-2-3-6-12-22)25-20(28)17-9-10-18(23)19(15-17)32(29,30)27-13-7-4-8-14-27/h9-10,15H,2-8,11-14H2,1H3,(H,25,28)
InChIKeyOACNMCWWGOWWPC-UHFFFAOYSA-N
XLogP4.19
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55622510
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55528409
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
CID 86998429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55622238) is 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide is Cc1nc(C2(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)CCCCCC2)no1.
What is the InChIKey of 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OACNMCWWGOWWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O4S/c1-16-24-21(26-31-16)22(11-5-2-3-6-12-22)25-20(28)17-9-10-18(23)19(15-17)32(29,30)27-13-7-4-8-14-27/h9-10,15H,2-8,11-14H2,1H3,(H,25,28).
What are the key properties of 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 481.02 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55622238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).