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

C14H19ClN4O3S — CID 120867320

IUPAC4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCNC(C)Cc1noc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H19ClN4O3S/c1-10(16-2)8-13-17-14(22-18-13)9-19(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQLVWSZJRRMDZKZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.69
Rot. Bonds7

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

4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 120867320) has the molecular formula C14H19ClN4O3S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
PubChem CID120867320
Molecular FormulaC14H19ClN4O3S
Molecular Weight358.85 g/mol
Exact Mass358.09
IUPAC Name4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILESCNC(C)Cc1noc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H19ClN4O3S/c1-10(16-2)8-13-17-14(22-18-13)9-19(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3
InChIKeyQLVWSZJRRMDZKZ-UHFFFAOYSA-N
XLogP1.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120866044
3-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 52872829
4-chloro-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1301101
4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114
1-[5-[1-(4-chlorophenyl)sulfonylcyclopentyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866148
1-(4-chlorophenyl)-2-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 120866425
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
N-methyl-1-[5-[2-(4-methylsulfonylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868199
1-[5-[1-(4-chlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867338
5-chloro-2-methoxy-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]aniline;hydrochloride
CID 120865950
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866771
N,N-dimethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
CID 120865129

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide (CID 120867320) is 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is CNC(C)Cc1noc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is QLVWSZJRRMDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3S/c1-10(16-2)8-13-17-14(22-18-13)9-19(3)23(20,21)12-6-4-11(15)5-7-12/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide?
4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 358.85 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 120867320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).