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

C23H26ClN3O4S — CID 30154240

IUPAC5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-7-6-8-17(13-16)23-25-22(31-26-23)15-27(19-9-4-3-5-10-19)32(28,29)21-14-18(24)11-12-20(21)30-2/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3
InChIKeySEGITDFZGNGLPE-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.23
Rot. Bonds7

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

5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 30154240) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID30154240
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-7-6-8-17(13-16)23-25-22(31-26-23)15-27(19-9-4-3-5-10-19)32(28,29)21-14-18(24)11-12-20(21)30-2/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3
InChIKeySEGITDFZGNGLPE-UHFFFAOYSA-N
XLogP5.23
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154570
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753
5-chloro-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 5308564
5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 30154406
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 7708635
3-tert-butyl-1-cyclohexyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895649
N-cyclohexyl-2-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835592
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 30154240) is 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is SEGITDFZGNGLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-16-7-6-8-17(13-16)23-25-22(31-26-23)15-27(19-9-4-3-5-10-19)32(28,29)21-14-18(24)11-12-20(21)30-2/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3.
What are the key properties of 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 476.00 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 30154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).