N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide

C14H17Cl2N3O3S — CID 110294380

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
SMILESCC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H17Cl2N3O3S/c1-14(2,3)13-18-12(19-22-13)6-7-17-23(20,21)9-4-5-10(15)11(16)8-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyCDLZQXWQTNOXNL-UHFFFAOYSA-N
MW378.28 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 110294380) has the molecular formula C14H17Cl2N3O3S and a molecular weight of 378.28 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
PubChem CID110294380
Molecular FormulaC14H17Cl2N3O3S
Molecular Weight378.28 g/mol
Exact Mass377.04
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
SMILESCC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C14H17Cl2N3O3S/c1-14(2,3)13-18-12(19-22-13)6-7-17-23(20,21)9-4-5-10(15)11(16)8-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyCDLZQXWQTNOXNL-UHFFFAOYSA-N
XLogP3.19
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110294381
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-5-sulfonamide
CID 166291352
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide
CID 110311155
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide (CID 110294380) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide is CC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is CDLZQXWQTNOXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O3S/c1-14(2,3)13-18-12(19-22-13)6-7-17-23(20,21)9-4-5-10(15)11(16)8-9/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 378.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 110294380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).