4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride

C14H20Cl2N4O3S — CID 120866044

IUPAC4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C14H19ClN4O3S.ClH/c1-9(16-3)8-13-17-14(22-18-13)10(2)19-23(20,21)12-6-4-11(15)5-7-12;/h4-7,9-10,16,19H,8H2,1-3H3;1H
InChIKeyKDYOPJPJFPXVTJ-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.33
Rot. Bonds7

About 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride

4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120866044) has the molecular formula C14H20Cl2N4O3S and a molecular weight of 395.31 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID120866044
Molecular FormulaC14H20Cl2N4O3S
Molecular Weight395.31 g/mol
Exact Mass394.06
IUPAC Name4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)Cc1noc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C14H19ClN4O3S.ClH/c1-9(16-3)8-13-17-14(22-18-13)10(2)19-23(20,21)12-6-4-11(15)5-7-12;/h4-7,9-10,16,19H,8H2,1-3H3;1H
InChIKeyKDYOPJPJFPXVTJ-UHFFFAOYSA-N
XLogP2.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 120867320
1-[5-[1-(4-chlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867338
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92735234
1-[5-[1-(4-chlorophenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866148
4-chloro-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 92702056
N-tert-butyl-4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867178
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
1-[5-[1-(2,3-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868131
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
1-[5-[(3-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride (CID 120866044) is 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride is CNC(C)Cc1noc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1.Cl.
What is the InChIKey of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is KDYOPJPJFPXVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3S.ClH/c1-9(16-3)8-13-17-14(22-18-13)10(2)19-23(20,21)12-6-4-11(15)5-7-12;/h4-7,9-10,16,19H,8H2,1-3H3;1H.
What are the key properties of 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride?
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 395.31 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120866044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).