4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide

C17H22N4O2S — CID 73352540

IUPAC4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-13-3-4-14(2)16(11-13)21-9-7-20(8-10-21)15-5-6-19-12-17(15)24(18,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,22,23)
InChIKeyGHVYIQQILVQRTA-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide

4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 73352540) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID73352540
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESCc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-13-3-4-14(2)16(11-13)21-9-7-20(8-10-21)15-5-6-19-12-17(15)24(18,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,22,23)
InChIKeyGHVYIQQILVQRTA-UHFFFAOYSA-N
XLogP1.67
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Torasemide
CID 41781
BM-960102
CID 819349
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435100
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
5-Isopropyl-2-methyl-N-pyridin-4-yl-benzenesulfonamide
CID 1160021
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinyl}-N-methyl-3-pyridinesulfonamide
CID 1214441
1-({2-Nitrobenzylidene}amino)-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 6877635
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
N-{4-[2-(4-[4-pyridinyl]-1-piperazinyl)ethyl]phenyl}methanesulphonamide
CID 21274454

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 73352540) is 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide is Cc1ccc(C)c(N2CCN(c3ccncc3S(N)(=O)=O)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is GHVYIQQILVQRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-3-4-14(2)16(11-13)21-9-7-20(8-10-21)15-5-6-19-12-17(15)24(18,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,18,22,23).
What are the key properties of 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide?
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 73352540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).