3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

C19H23ClN4O3S — CID 55462431

IUPAC3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-3-6-18(14-16)28(26,27)22-9-7-19(25)24-12-10-23(11-13-24)15-17-5-1-2-8-21-17/h1-6,8,14,22H,7,9-13,15H2
InChIKeyUHRYPYXDKSUWJM-UHFFFAOYSA-N
MW422.94 g/mol
LogP1.75
Rot. Bonds7

About 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide

3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide (PubChem CID 55462431) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
PubChem CID55462431
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O3S/c20-16-4-3-6-18(14-16)28(26,27)22-9-7-19(25)24-12-10-23(11-13-24)15-17-5-1-2-8-21-17/h1-6,8,14,22H,7,9-13,15H2
InChIKeyUHRYPYXDKSUWJM-UHFFFAOYSA-N
XLogP1.75
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 26535228
3-chloro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 33233825
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
3,4-difluoro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 24539431
N-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2,4-dimethylbenzenesulfonamide
CID 55361498
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
4-chloro-N-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24548002
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
1-[1-[3-[(3-chlorophenyl)sulfonylamino]propanoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153894
3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 30186906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide (CID 55462431) is 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide?
The InChIKey is UHRYPYXDKSUWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c20-16-4-3-6-18(14-16)28(26,27)22-9-7-19(25)24-12-10-23(11-13-24)15-17-5-1-2-8-21-17/h1-6,8,14,22H,7,9-13,15H2.
What are the key properties of 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide?
3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide has a molecular weight of 422.94 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 55462431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).