N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C17H18Cl2N4O3S — CID 71252515

IUPACN-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-14-4-2-12(3-5-14)17(24)23-8-6-22(7-9-23)16-15(19)10-13(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3
InChIKeyGRBQEWLSUJAQLW-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.72
Rot. Bonds4

About N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 71252515) has the molecular formula C17H18Cl2N4O3S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID71252515
Molecular FormulaC17H18Cl2N4O3S
Molecular Weight429.33 g/mol
Exact Mass428.05
IUPAC NameN-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-14-4-2-12(3-5-14)17(24)23-8-6-22(7-9-23)16-15(19)10-13(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3
InChIKeyGRBQEWLSUJAQLW-UHFFFAOYSA-N
XLogP2.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 71252515) is N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is GRBQEWLSUJAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-14-4-2-12(3-5-14)17(24)23-8-6-22(7-9-23)16-15(19)10-13(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 429.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71252515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).