2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

C16H16Cl2N4O3S — CID 47087292

IUPAC2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N4O3S/c17-11-8-12(18)10-13(9-11)26(24,25)22-6-4-21(5-7-22)16-14(15(19)23)2-1-3-20-16/h1-3,8-10H,4-7H2,(H2,19,23)
InChIKeyMPGKOIRSWDCXOC-UHFFFAOYSA-N
MW415.30 g/mol
LogP2.00
Rot. Bonds4

About 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 47087292) has the molecular formula C16H16Cl2N4O3S and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID47087292
Molecular FormulaC16H16Cl2N4O3S
Molecular Weight415.30 g/mol
Exact Mass414.03
IUPAC Name2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H16Cl2N4O3S/c17-11-8-12(18)10-13(9-11)26(24,25)22-6-4-21(5-7-22)16-14(15(19)23)2-1-3-20-16/h1-3,8-10H,4-7H2,(H2,19,23)
InChIKeyMPGKOIRSWDCXOC-UHFFFAOYSA-N
XLogP2.00
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (CID 47087292) is 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is MPGKOIRSWDCXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3S/c17-11-8-12(18)10-13(9-11)26(24,25)22-6-4-21(5-7-22)16-14(15(19)23)2-1-3-20-16/h1-3,8-10H,4-7H2,(H2,19,23).
What are the key properties of 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 415.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47087292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).