N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C17H27ClN4O4S — CID 119400713

IUPACN,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N4O4S.ClH/c1-19(2)26(23,24)14-3-4-16(20-9-11-25-12-10-20)15(13-14)17(22)21-7-5-18-6-8-21;/h3-4,13,18H,5-12H2,1-2H3;1H
InChIKeyXXNBTGKISWZWKQ-UHFFFAOYSA-N
MW418.95 g/mol
LogP0.24
Rot. Bonds4

About N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119400713) has the molecular formula C17H27ClN4O4S and a molecular weight of 418.95 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119400713
Molecular FormulaC17H27ClN4O4S
Molecular Weight418.95 g/mol
Exact Mass418.14
IUPAC NameN,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N4O4S.ClH/c1-19(2)26(23,24)14-3-4-16(20-9-11-25-12-10-20)15(13-14)17(22)21-7-5-18-6-8-21;/h3-4,13,18H,5-12H2,1-2H3;1H
InChIKeyXXNBTGKISWZWKQ-UHFFFAOYSA-N
XLogP0.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55905673
3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55527467
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 35900064
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
CID 159981198
3-[(4aR,7aR)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 99794658
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
(1-methoxy-1-oxopropan-2-yl) 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 22109188
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119400713) is N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is XXNBTGKISWZWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S.ClH/c1-19(2)26(23,24)14-3-4-16(20-9-11-25-12-10-20)15(13-14)17(22)21-7-5-18-6-8-21;/h3-4,13,18H,5-12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 418.95 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119400713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).