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

C21H27ClN4O5S — CID 55622510

IUPAC2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CCCCCC2)no1
InChIInChI=1S/C21H27ClN4O5S/c1-15-23-20(25-31-15)21(8-4-2-3-5-9-21)24-19(27)17-14-16(6-7-18(17)22)32(28,29)26-10-12-30-13-11-26/h6-7,14H,2-5,8-13H2,1H3,(H,24,27)
InChIKeyRRTZIFNVFVSQIW-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.03
Rot. Bonds5

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

2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55622510) has the molecular formula C21H27ClN4O5S and a molecular weight of 482.99 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55622510
Molecular FormulaC21H27ClN4O5S
Molecular Weight482.99 g/mol
Exact Mass482.14
IUPAC Name2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CCCCCC2)no1
InChIInChI=1S/C21H27ClN4O5S/c1-15-23-20(25-31-15)21(8-4-2-3-5-9-21)24-19(27)17-14-16(6-7-18(17)22)32(28,29)26-10-12-30-13-11-26/h6-7,14H,2-5,8-13H2,1H3,(H,24,27)
InChIKeyRRTZIFNVFVSQIW-UHFFFAOYSA-N
XLogP3.03
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55528408
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
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)cyclobutyl]-5-methylsulfanylbenzamide
CID 86998426
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948596
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
CID 55621991
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55622510) is 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CCCCCC2)no1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RRTZIFNVFVSQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O5S/c1-15-23-20(25-31-15)21(8-4-2-3-5-9-21)24-19(27)17-14-16(6-7-18(17)22)32(28,29)26-10-12-30-13-11-26/h6-7,14H,2-5,8-13H2,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 482.99 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55622510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).