5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride

C14H21Cl2N3O4S — CID 120893956

IUPAC5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClN3O4S.ClH/c1-17(2)14(19)11-8-10(15)9-12(13(11)22-3)23(20,21)18-6-4-16-5-7-18;/h8-9,16H,4-7H2,1-3H3;1H
InChIKeyUWCDJENIRMXVKS-UHFFFAOYSA-N
MW398.31 g/mol
LogP1.07
Rot. Bonds4

About 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride

5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 120893956) has the molecular formula C14H21Cl2N3O4S and a molecular weight of 398.31 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID120893956
Molecular FormulaC14H21Cl2N3O4S
Molecular Weight398.31 g/mol
Exact Mass397.06
IUPAC Name5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
SMILESCOc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H20ClN3O4S.ClH/c1-17(2)14(19)11-8-10(15)9-12(13(11)22-3)23(20,21)18-6-4-16-5-7-18;/h8-9,16H,4-7H2,1-3H3;1H
InChIKeyUWCDJENIRMXVKS-UHFFFAOYSA-N
XLogP1.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894234
5-chloro-3-(2,3-dimethylpiperazin-1-yl)sulfonyl-2-methoxy-N,N-dimethylbenzamide
CID 120894308
3-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894221
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
3-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894025
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 120894133
4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 59260923
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride (CID 120893956) is 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride is COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is UWCDJENIRMXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4S.ClH/c1-17(2)14(19)11-8-10(15)9-12(13(11)22-3)23(20,21)18-6-4-16-5-7-18;/h8-9,16H,4-7H2,1-3H3;1H.
What are the key properties of 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride?
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 398.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120893956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).