N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

C13H19N3O3S — CID 51160647

IUPACN-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyQPVNXEXFCLDORB-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.02
Rot. Bonds3

About N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 51160647) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID51160647
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C13H19N3O3S/c1-14-20(18,19)12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10,14H,6-9H2,1-2H3
InChIKeyQPVNXEXFCLDORB-UHFFFAOYSA-N
XLogP-0.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064276
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
3-(3-cyclopropyl-3-hydroxyazetidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 139007574
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
CID 174584749
CID 174584749
N-[3-(4-ethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 158352401
N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 70848166
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 51160647) is N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is QPVNXEXFCLDORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-14-20(18,19)12-5-3-4-11(10-12)13(17)16-8-6-15(2)7-9-16/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 51160647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).