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

C17H18Cl2N4O3S — CID 55933429

IUPACN-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-15-5-3-2-4-13(15)17(24)23-8-6-22(7-9-23)16-14(19)10-12(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3
InChIKeyNBBNLHCCTBQFGD-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.72
Rot. Bonds4

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

N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 55933429) has the molecular formula C17H18Cl2N4O3S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID55933429
Molecular FormulaC17H18Cl2N4O3S
Molecular Weight429.33 g/mol
Exact Mass428.05
IUPAC NameN-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-15-5-3-2-4-13(15)17(24)23-8-6-22(7-9-23)16-14(19)10-12(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3
InChIKeyNBBNLHCCTBQFGD-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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Related Compounds

N-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 71252515
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55350252
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
N-[3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazol-3-yl]-4-methoxyphenyl]methanesulfonamide
CID 66835578
3-[4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]pyrrolidin-2-one
CID 141265371
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120595187

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 55933429) is N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is NBBNLHCCTBQFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3S/c1-27(25,26)21-15-5-3-2-4-13(15)17(24)23-8-6-22(7-9-23)16-14(19)10-12(18)11-20-16/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[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-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).