2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

C14H21N3O4S — CID 119472443

IUPAC2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCNCC2C)ccc1OC
InChIInChI=1S/C14H21N3O4S/c1-10-9-16-6-7-17(10)14(18)11-4-5-12(21-3)13(8-11)22(19,20)15-2/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyUOLMTVDMGAFHJL-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.04
Rot. Bonds4

About 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119472443) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID119472443
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCNCC2C)ccc1OC
InChIInChI=1S/C14H21N3O4S/c1-10-9-16-6-7-17(10)14(18)11-4-5-12(21-3)13(8-11)22(19,20)15-2/h4-5,8,10,15-16H,6-7,9H2,1-3H3
InChIKeyUOLMTVDMGAFHJL-UHFFFAOYSA-N
XLogP0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
(3-bromo-4-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705366
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(3-methoxy-4-nitrophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866782
(3-methoxy-4-nitrophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 103866731
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 119472443) is 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCNCC2C)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is UOLMTVDMGAFHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-9-16-6-7-17(10)14(18)11-4-5-12(21-3)13(8-11)22(19,20)15-2/h4-5,8,10,15-16H,6-7,9H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119472443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).