N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C18H22N4O3S — CID 120732089

IUPACN-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H22N4O3S/c1-13-5-6-14(10-16(13)21-26(2,24)25)18(23)22-9-8-20-12-17(22)15-4-3-7-19-11-15/h3-7,10-11,17,20-21H,8-9,12H2,1-2H3
InChIKeyBPJNNQDPSMDXME-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.55
Rot. Bonds4

About N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 120732089) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID120732089
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1NS(C)(=O)=O
InChIInChI=1S/C18H22N4O3S/c1-13-5-6-14(10-16(13)21-26(2,24)25)18(23)22-9-8-20-12-17(22)15-4-3-7-19-11-15/h3-7,10-11,17,20-21H,8-9,12H2,1-2H3
InChIKeyBPJNNQDPSMDXME-UHFFFAOYSA-N
XLogP1.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 120737706
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 120732089) is N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is BPJNNQDPSMDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-5-6-14(10-16(13)21-26(2,24)25)18(23)22-9-8-20-12-17(22)15-4-3-7-19-11-15/h3-7,10-11,17,20-21H,8-9,12H2,1-2H3.
What are the key properties of N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120732089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).