4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide

C19H24N4O3S — CID 120731688

IUPAC4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15-4-6-17(7-5-15)27(25,26)22-10-8-19(24)23-12-11-21-14-18(23)16-3-2-9-20-13-16/h2-7,9,13,18,21-22H,8,10-12,14H2,1H3
InChIKeyNDEXDXXIIIKEST-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.23
Rot. Bonds6

About 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide

4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 120731688) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID120731688
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C19H24N4O3S/c1-15-4-6-17(7-5-15)27(25,26)22-10-8-19(24)23-12-11-21-14-18(23)16-3-2-9-20-13-16/h2-7,9,13,18,21-22H,8,10-12,14H2,1H3
InChIKeyNDEXDXXIIIKEST-UHFFFAOYSA-N
XLogP1.23
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
1-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120731043
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
CID 120730434
2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
CID 120731406
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide (CID 120731688) is 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is NDEXDXXIIIKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-15-4-6-17(7-5-15)27(25,26)22-10-8-19(24)23-12-11-21-14-18(23)16-3-2-9-20-13-16/h2-7,9,13,18,21-22H,8,10-12,14H2,1H3.
What are the key properties of 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide?
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 120731688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).