N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide

C12H18N4O3S — CID 61253139

IUPACN-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H18N4O3S/c1-13-12(17)10-2-4-11(5-3-10)15-20(18,19)16-8-6-14-7-9-16/h2-5,14-15H,6-9H2,1H3,(H,13,17)
InChIKeyYWRHAEVPKLXGGY-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.39
Rot. Bonds4

About N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide

N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide (PubChem CID 61253139) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
PubChem CID61253139
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-methyl-4-(piperazin-1-ylsulfonylamino)benzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H18N4O3S/c1-13-12(17)10-2-4-11(5-3-10)15-20(18,19)16-8-6-14-7-9-16/h2-5,14-15H,6-9H2,1H3,(H,13,17)
InChIKeyYWRHAEVPKLXGGY-UHFFFAOYSA-N
XLogP-0.39
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
N-[3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 28775811
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527
N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-sulfonamide
CID 61252719
N-(3,4-dicyanophenyl)piperazine-1-sulfonamide
CID 107791270
N-[4-(2-methylpropoxy)phenyl]piperazine-1-sulfonamide
CID 84760719
N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
CID 61254488
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
N-[4-methyl-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61251789
N-(1-methylpyrazol-4-yl)piperazine-1-sulfonamide
CID 43535244

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide?
The IUPAC name of N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide (CID 61253139) is N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide.
What is the SMILES notation for N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide?
The canonical SMILES for N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide is CNC(=O)c1ccc(NS(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide?
The InChIKey is YWRHAEVPKLXGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-13-12(17)10-2-4-11(5-3-10)15-20(18,19)16-8-6-14-7-9-16/h2-5,14-15H,6-9H2,1H3,(H,13,17).
What are the key properties of N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide?
N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide has a molecular weight of 298.37 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(piperazin-1-ylsulfonylamino)benzamide is sourced from PubChem (CID 61253139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).