2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide

C11H12ClN3O2S — CID 114384833

IUPAC2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H12ClN3O2S/c12-9-3-4-10(14-6-7-18(13,16)17)11-8(9)2-1-5-15-11/h1-5,14H,6-7H2,(H2,13,16,17)
InChIKeyLRIIVJDIVZZFIZ-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.59
Rot. Bonds4

About 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide

2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide (PubChem CID 114384833) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
PubChem CID114384833
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H12ClN3O2S/c12-9-3-4-10(14-6-7-18(13,16)17)11-8(9)2-1-5-15-11/h1-5,14H,6-7H2,(H2,13,16,17)
InChIKeyLRIIVJDIVZZFIZ-UHFFFAOYSA-N
XLogP1.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
2-[(8-aminoquinolin-4-yl)amino]ethanesulfonamide
CID 83061174
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
CID 116784971
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
5-chloroquinoline-8-sulfonyl chloride
CID 4206949
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide (CID 114384833) is 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide?
The InChIKey is LRIIVJDIVZZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-9-3-4-10(14-6-7-18(13,16)17)11-8(9)2-1-5-15-11/h1-5,14H,6-7H2,(H2,13,16,17).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide?
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114384833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).