1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide

C17H21Cl2N3O3S — CID 71852262

IUPAC1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide
SMILESCc1nc(C2(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCCCC2)no1
InChIInChI=1S/C17H21Cl2N3O3S/c1-12-20-16(21-25-12)17(6-4-2-3-5-7-17)22-26(23,24)11-13-8-14(18)10-15(19)9-13/h8-10,22H,2-7,11H2,1H3
InChIKeyDGOYFTZCKZPVAB-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.35
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide

1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide (PubChem CID 71852262) has the molecular formula C17H21Cl2N3O3S and a molecular weight of 418.35 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide
PubChem CID71852262
Molecular FormulaC17H21Cl2N3O3S
Molecular Weight418.35 g/mol
Exact Mass417.07
IUPAC Name1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide
SMILESCc1nc(C2(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCCCC2)no1
InChIInChI=1S/C17H21Cl2N3O3S/c1-12-20-16(21-25-12)17(6-4-2-3-5-7-17)22-26(23,24)11-13-8-14(18)10-15(19)9-13/h8-10,22H,2-7,11H2,1H3
InChIKeyDGOYFTZCKZPVAB-UHFFFAOYSA-N
XLogP4.35
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propane-1-sulfonamide
CID 47405513
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]methanesulfonamide
CID 47180721
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
cis-(1R,2S)-2-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]cyclohexane-1-sulfonamide
CID 154810650
N-[1-(aminomethyl)cyclopentyl]-1-(3,5-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119980708
1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one
CID 56820390
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide
CID 55972563
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
N-(5-chloro-2-methoxyphenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075222
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide (CID 71852262) is 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide is Cc1nc(C2(NS(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCCCCC2)no1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide?
The InChIKey is DGOYFTZCKZPVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3S/c1-12-20-16(21-25-12)17(6-4-2-3-5-7-17)22-26(23,24)11-13-8-14(18)10-15(19)9-13/h8-10,22H,2-7,11H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide?
1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide has a molecular weight of 418.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 71852262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).