N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide

C19H26N4O2S — CID 113014317

IUPACN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-3-13-26(24,25)21-17-7-8-19(20-15-17)23-11-9-22(10-12-23)18-6-4-5-16(2)14-18/h4-8,14-15,21H,3,9-13H2,1-2H3
InChIKeyHNGZCVQVRGDJLH-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.87
Rot. Bonds6

About N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide

N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113014317) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
PubChem CID113014317
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nc1
InChIInChI=1S/C19H26N4O2S/c1-3-13-26(24,25)21-17-7-8-19(20-15-17)23-11-9-22(10-12-23)18-6-4-5-16(2)14-18/h4-8,14-15,21H,3,9-13H2,1-2H3
InChIKeyHNGZCVQVRGDJLH-UHFFFAOYSA-N
XLogP2.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide (CID 113014317) is N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)nc1.
What is the InChIKey of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is HNGZCVQVRGDJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-13-26(24,25)21-17-7-8-19(20-15-17)23-11-9-22(10-12-23)18-6-4-5-16(2)14-18/h4-8,14-15,21H,3,9-13H2,1-2H3.
What are the key properties of N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide?
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113014317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).