N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride

C14H22ClN3O3S — CID 119471526

IUPACN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2C)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)16-21(3,19)20)14(18)17-7-6-15-9-11(17)2;/h4-5,8,11,15-16H,6-7,9H2,1-3H3;1H
InChIKeyMIWDGHZIOQLMEH-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.22
Rot. Bonds3

About N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride

N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 119471526) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID119471526
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCNCC2C)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)16-21(3,19)20)14(18)17-7-6-15-9-11(17)2;/h4-5,8,11,15-16H,6-7,9H2,1-3H3;1H
InChIKeyMIWDGHZIOQLMEH-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 120737706
N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 119470818
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
CID 119469960
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119472443
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471361

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride (CID 119471526) is N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride is Cc1ccc(C(=O)N2CCNCC2C)cc1NS(C)(=O)=O.Cl.
What is the InChIKey of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is MIWDGHZIOQLMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10-4-5-12(8-13(10)16-21(3,19)20)14(18)17-7-6-15-9-11(17)2;/h4-5,8,11,15-16H,6-7,9H2,1-3H3;1H.
What are the key properties of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride?
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119471526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).