N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride

C17H28ClN3O4S — CID 119967344

IUPACN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13(2)24-16-6-5-15(11-14(16)3)25(22,23)19(4)12-17(21)20-9-7-18-8-10-20;/h5-6,11,13,18H,7-10,12H2,1-4H3;1H
InChIKeyUYOIFGXPVXJXHU-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.26
Rot. Bonds6

About N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride

N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride (PubChem CID 119967344) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
PubChem CID119967344
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-13(2)24-16-6-5-15(11-14(16)3)25(22,23)19(4)12-17(21)20-9-7-18-8-10-20;/h5-6,11,13,18H,7-10,12H2,1-4H3;1H
InChIKeyUYOIFGXPVXJXHU-UHFFFAOYSA-N
XLogP1.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
2-methoxy-5-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzamide;hydrochloride
CID 119967340
4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967593
N-[2-(azepan-1-yl)-2-oxoethyl]-4-ethoxy-N,3-dimethylbenzenesulfonamide
CID 45373770
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
methyl 4-[methyl-(2-oxo-2-piperazin-1-ylethyl)sulfamoyl]benzoate
CID 119967426
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963163
N,2-dimethyl-5-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967320
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The IUPAC name of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride (CID 119967344) is N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)ccc1OC(C)C.Cl.
What is the InChIKey of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The InChIKey is UYOIFGXPVXJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-13(2)24-16-6-5-15(11-14(16)3)25(22,23)19(4)12-17(21)20-9-7-18-8-10-20;/h5-6,11,13,18H,7-10,12H2,1-4H3;1H.
What are the key properties of N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).