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

C20H20ClN3O3S — CID 70221445

IUPAC4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)C1CCCC1
InChIInChI=1S/C20H20ClN3O3S/c21-17-9-11-19(12-10-17)28(25,26)24(18-3-1-2-4-18)13-15-5-7-16(8-6-15)20-22-14-27-23-20/h5-12,14,18H,1-4,13H2
InChIKeyCBZNFRFBICTMIQ-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.52
Rot. Bonds6

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

4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 70221445) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
PubChem CID70221445
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)C1CCCC1
InChIInChI=1S/C20H20ClN3O3S/c21-17-9-11-19(12-10-17)28(25,26)24(18-3-1-2-4-18)13-15-5-7-16(8-6-15)20-22-14-27-23-20/h5-12,14,18H,1-4,13H2
InChIKeyCBZNFRFBICTMIQ-UHFFFAOYSA-N
XLogP4.52
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide (CID 70221445) is 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2ncon2)cc1)C1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is CBZNFRFBICTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-17-9-11-19(12-10-17)28(25,26)24(18-3-1-2-4-18)13-15-5-7-16(8-6-15)20-22-14-27-23-20/h5-12,14,18H,1-4,13H2.
What are the key properties of 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 417.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 70221445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).