N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide

C13H15ClN4O2S — CID 61253332

IUPACN-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2cccnc12)N1CCNCC1
InChIInChI=1S/C13H15ClN4O2S/c14-11-3-4-12(13-10(11)2-1-5-16-13)17-21(19,20)18-8-6-15-7-9-18/h1-5,15,17H,6-9H2
InChIKeyDKFBHEFKVDRNML-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.45
Rot. Bonds3

About N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide

N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide (PubChem CID 61253332) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide
PubChem CID61253332
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC NameN-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2cccnc12)N1CCNCC1
InChIInChI=1S/C13H15ClN4O2S/c14-11-3-4-12(13-10(11)2-1-5-16-13)17-21(19,20)18-8-6-15-7-9-18/h1-5,15,17H,6-9H2
InChIKeyDKFBHEFKVDRNML-UHFFFAOYSA-N
XLogP1.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
N-(2-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-sulfonamide
CID 61253505
N-pyridin-2-ylpiperazine-1-sulfonamide
CID 28775630
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
CID 60927459
8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
CID 54156973
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
3-(1,4-diazepan-1-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 61171970
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
N-(4-methyl-3-pyridinyl)piperazine-1-sulfonamide
CID 55203430

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide (CID 61253332) is N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide is O=S(=O)(Nc1ccc(Cl)c2cccnc12)N1CCNCC1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide?
The InChIKey is DKFBHEFKVDRNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c14-11-3-4-12(13-10(11)2-1-5-16-13)17-21(19,20)18-8-6-15-7-9-18/h1-5,15,17H,6-9H2.
What are the key properties of N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide?
N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 61253332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).