N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

C15H22ClN5O3S — CID 120960636

IUPACN,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cl
InChIInChI=1S/C15H21N5O3S.ClH/c1-19(2)24(21,22)12-6-4-11(5-7-12)15-17-14(18-23-15)13-10-16-8-9-20(13)3;/h4-7,13,16H,8-10H2,1-3H3;1H
InChIKeyYUPFOMGGTAWPOA-UHFFFAOYSA-N
MW387.89 g/mol
LogP0.98
Rot. Bonds4

About N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride

N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (PubChem CID 120960636) has the molecular formula C15H22ClN5O3S and a molecular weight of 387.89 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
PubChem CID120960636
Molecular FormulaC15H22ClN5O3S
Molecular Weight387.89 g/mol
Exact Mass387.11
IUPAC NameN,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cl
InChIInChI=1S/C15H21N5O3S.ClH/c1-19(2)24(21,22)12-6-4-11(5-7-12)15-17-14(18-23-15)13-10-16-8-9-20(13)3;/h4-7,13,16H,8-10H2,1-3H3;1H
InChIKeyYUPFOMGGTAWPOA-UHFFFAOYSA-N
XLogP0.98
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120960291
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
N-(2-methoxyethyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960268
N,N,5-trimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide;hydrochloride
CID 120957963
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
5-(4-methyl-3-methylsulfonylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958697
3-(1-methylpiperazin-2-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960614
3-(1-methylpiperazin-2-yl)-5-[4-(5-methylpyrazol-1-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120960454
5-[4-(1,3-dithian-2-yl)phenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958918
5-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961614

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride (CID 120960636) is N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is CN1CCNCC1c1noc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cl.
What is the InChIKey of N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
The InChIKey is YUPFOMGGTAWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S.ClH/c1-19(2)24(21,22)12-6-4-11(5-7-12)15-17-14(18-23-15)13-10-16-8-9-20(13)3;/h4-7,13,16H,8-10H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride?
N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120960636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).