4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

C15H17ClN4O2S — CID 73352539

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22)
InChIKeyBBKFOQCRDAHPDF-UHFFFAOYSA-N
MW352.85 g/mol
LogP1.71
Rot. Bonds3

About 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide

4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 73352539) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID73352539
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17ClN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22)
InChIKeyBBKFOQCRDAHPDF-UHFFFAOYSA-N
XLogP1.71
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
2,5-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444857
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
1-[(4-chlorophenyl)sulfonyl]-4-(1H-pyrrol-1-yl)piperidine
CID 2822457
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinyl}-N-methyl-3-pyridinesulfonamide
CID 1214441
4-[4-(3-chlorophenyl)-1-piperazinyl]-N,N-diethyl-3-pyridinesulfonamide
CID 1214515
AJ-333/09219002
CID 4118683
6-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 822454

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide (CID 73352539) is 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is BBKFOQCRDAHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c16-12-1-3-13(4-2-12)19-7-9-20(10-8-19)14-5-6-18-11-15(14)23(17,21)22/h1-6,11H,7-10H2,(H2,17,21,22).
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide?
4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 352.85 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 73352539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).