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

C17H20N4O3S — CID 120729515

IUPAC[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H20N4O3S/c18-25(23,24)12-13-3-1-4-14(9-13)17(22)21-8-7-20-11-16(21)15-5-2-6-19-10-15/h1-6,9-10,16,20H,7-8,11-12H2,(H2,18,23,24)
InChIKeyOBZZWYTXLVEZPN-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.66
Rot. Bonds4

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

[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 120729515) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID120729515
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C17H20N4O3S/c18-25(23,24)12-13-3-1-4-14(9-13)17(22)21-8-7-20-11-16(21)15-5-2-6-19-10-15/h1-6,9-10,16,20H,7-8,11-12H2,(H2,18,23,24)
InChIKeyOBZZWYTXLVEZPN-UHFFFAOYSA-N
XLogP0.66
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 120740222
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303
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
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120729692
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 120729515) is [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is OBZZWYTXLVEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c18-25(23,24)12-13-3-1-4-14(9-13)17(22)21-8-7-20-11-16(21)15-5-2-6-19-10-15/h1-6,9-10,16,20H,7-8,11-12H2,(H2,18,23,24).
What are the key properties of [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120729515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).