N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide

C16H21ClN4O3S — CID 70675730

IUPACN-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21)
InChIKeyGNVYVNIHYWYJOU-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.91
Rot. Bonds6

About N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide

N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (PubChem CID 70675730) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
PubChem CID70675730
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC NameN-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21)
InChIKeyGNVYVNIHYWYJOU-UHFFFAOYSA-N
XLogP2.91
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide (CID 70675730) is N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCC(Nc2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
The InChIKey is GNVYVNIHYWYJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-25(22,23)18-10-11-5-7-14(8-6-11)19-16-20-15(21-24-16)12-3-2-4-13(17)9-12/h2-4,9,11,14,18H,5-8,10H2,1H3,(H,19,20,21).
What are the key properties of N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide?
N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]cyclohexyl]methyl]methanesulfonamide is sourced from PubChem (CID 70675730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).