5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

C22H24ClN3O5S — CID 30154373

IUPAC5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-29-18-10-7-15(8-11-18)22-24-21(31-25-22)14-26(17-5-3-4-6-17)32(27,28)20-13-16(23)9-12-19(20)30-2/h7-13,17H,3-6,14H2,1-2H3
InChIKeyHSRPMAGKPZAMGA-UHFFFAOYSA-N
MW477.97 g/mol
LogP4.54
Rot. Bonds8

About 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide

5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 30154373) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID30154373
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC Name5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C22H24ClN3O5S/c1-29-18-10-7-15(8-11-18)22-24-21(31-25-22)14-26(17-5-3-4-6-17)32(27,28)20-13-16(23)9-12-19(20)30-2/h7-13,17H,3-6,14H2,1-2H3
InChIKeyHSRPMAGKPZAMGA-UHFFFAOYSA-N
XLogP4.54
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154240
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753
5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 30154406
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33081665
5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
3-(3-chlorophenyl)-1-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 17275392
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30849548
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 23608395
5-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylbenzamide
CID 8875250
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 3164331
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 60535395

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 30154373) is 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is COc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is HSRPMAGKPZAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c1-29-18-10-7-15(8-11-18)22-24-21(31-25-22)14-26(17-5-3-4-6-17)32(27,28)20-13-16(23)9-12-19(20)30-2/h7-13,17H,3-6,14H2,1-2H3.
What are the key properties of 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 477.97 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 30154373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).