3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide

C18H23N5O3S — CID 46333576

IUPAC3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCc2cccnc2)ccc1N1CCNCC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)22-16-11-15(4-5-17(16)23-9-7-19-8-10-23)18(24)21-13-14-3-2-6-20-12-14/h2-6,11-12,19,22H,7-10,13H2,1H3,(H,21,24)
InChIKeyNWSCDRDOMUXEPB-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.79
Rot. Bonds6

About 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide

3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46333576) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46333576
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)Nc1cc(C(=O)NCc2cccnc2)ccc1N1CCNCC1
InChIInChI=1S/C18H23N5O3S/c1-27(25,26)22-16-11-15(4-5-17(16)23-9-7-19-8-10-23)18(24)21-13-14-3-2-6-20-12-14/h2-6,11-12,19,22H,7-10,13H2,1H3,(H,21,24)
InChIKeyNWSCDRDOMUXEPB-UHFFFAOYSA-N
XLogP0.79
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
3-(methanesulfonamido)-4-piperazin-1-yl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46333840
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
3-(methanesulfonamido)-N,N-dimethyl-4-piperazin-1-ylbenzamide
CID 46333263
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
3-(methanesulfonamido)-N-(oxolan-2-ylmethyl)-4-piperazin-1-ylbenzamide
CID 46333521
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide (CID 46333576) is 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide is CS(=O)(=O)Nc1cc(C(=O)NCc2cccnc2)ccc1N1CCNCC1.
What is the InChIKey of 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NWSCDRDOMUXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-27(25,26)22-16-11-15(4-5-17(16)23-9-7-19-8-10-23)18(24)21-13-14-3-2-6-20-12-14/h2-6,11-12,19,22H,7-10,13H2,1H3,(H,21,24).
What are the key properties of 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide?
3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46333576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).