5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride

C16H17Cl2N3O2S2 — CID 47016699

IUPAC5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(CNc2ccnc3cc(Cl)ccc23)s1.Cl
InChIInChI=1S/C16H16ClN3O2S2.ClH/c1-20(2)24(21,22)16-6-4-12(23-16)10-19-14-7-8-18-15-9-11(17)3-5-13(14)15;/h3-9H,10H2,1-2H3,(H,18,19);1H
InChIKeyXQRBFOXLKXEYQM-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.23
Rot. Bonds5

About 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride

5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride (PubChem CID 47016699) has the molecular formula C16H17Cl2N3O2S2 and a molecular weight of 418.37 g/mol. Its IUPAC name is 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride
PubChem CID47016699
Molecular FormulaC16H17Cl2N3O2S2
Molecular Weight418.37 g/mol
Exact Mass417.01
IUPAC Name5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(CNc2ccnc3cc(Cl)ccc23)s1.Cl
InChIInChI=1S/C16H16ClN3O2S2.ClH/c1-20(2)24(21,22)16-6-4-12(23-16)10-19-14-7-8-18-15-9-11(17)3-5-13(14)15;/h3-9H,10H2,1-2H3,(H,18,19);1H
InChIKeyXQRBFOXLKXEYQM-UHFFFAOYSA-N
XLogP4.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride with MolForge

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Related Compounds

7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
4-N-[(5-chlorothiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001265
CID 10433026
CID 10433026
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
CID 10409748
CID 10409748
N'-(7-chloroquinolin-4-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 118729706
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633

Frequently Asked Questions

What is the IUPAC name of 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride (CID 47016699) is 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(CNc2ccnc3cc(Cl)ccc23)s1.Cl.
What is the InChIKey of 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is XQRBFOXLKXEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2.ClH/c1-20(2)24(21,22)16-6-4-12(23-16)10-19-14-7-8-18-15-9-11(17)3-5-13(14)15;/h3-9H,10H2,1-2H3,(H,18,19);1H.
What are the key properties of 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride?
5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 418.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7-chloroquinolin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 47016699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).