4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

C20H25ClN4O3S — CID 86968929

IUPAC4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H25ClN4O3S/c1-15(14-24-9-11-25(12-10-24)19-5-3-4-8-22-19)23-20(26)16-6-7-17(21)18(13-16)29(2,27)28/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyBUJXHXQWSBJRBJ-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.08
Rot. Bonds6

About 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 86968929) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID86968929
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C20H25ClN4O3S/c1-15(14-24-9-11-25(12-10-24)19-5-3-4-8-22-19)23-20(26)16-6-7-17(21)18(13-16)29(2,27)28/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyBUJXHXQWSBJRBJ-UHFFFAOYSA-N
XLogP2.08
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968871
3-(methylsulfonylmethyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 86968837
2-(2,6-dichlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 86968963
3-ethyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86968778
2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 139008384
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
4-(2-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86968785
1-(3-chlorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 86968950
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 86969810
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide (CID 86968929) is 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is CC(CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is BUJXHXQWSBJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-15(14-24-9-11-25(12-10-24)19-5-3-4-8-22-19)23-20(26)16-6-7-17(21)18(13-16)29(2,27)28/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide?
4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 436.97 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 86968929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).