N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C16H19N5O3S — CID 51164916

IUPACN-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)19-14-6-3-2-5-13(14)15(22)20-9-11-21(12-10-20)16-17-7-4-8-18-16/h2-8,19H,9-12H2,1H3
InChIKeyFTNNXEFZVDUPBS-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.81
Rot. Bonds4

About N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 51164916) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID51164916
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O3S/c1-25(23,24)19-14-6-3-2-5-13(14)15(22)20-9-11-21(12-10-20)16-17-7-4-8-18-16/h2-8,19H,9-12H2,1H3
InChIKeyFTNNXEFZVDUPBS-UHFFFAOYSA-N
XLogP0.81
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
(2-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707478
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636448
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
N-[2-piperazin-1-yl-5-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]methanesulfonamide
CID 46333283
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55350252
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
N-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methanesulfonamide;hydrochloride
CID 120659023

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 51164916) is N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is FTNNXEFZVDUPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-25(23,24)19-14-6-3-2-5-13(14)15(22)20-9-11-21(12-10-20)16-17-7-4-8-18-16/h2-8,19H,9-12H2,1H3.
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 361.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 51164916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).